2-amino-5-deuterio-N-[4-(2,5-dideuterio-3-methylimidazol-4-yl)-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-deuterio-6-fluoro-N-[5-fluoro-4-[3-(trideuteriomethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[2,5-dideuterio-3-(trideuteriomethyl)imidazol-4-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-(3-(113C)methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[3-(trideuteriomethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C80H60F10N40O5 — CID 157326485

IUPAC2-amino-5-deuterio-N-[4-(2,5-dideuterio-3-methylimidazol-4-yl)-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-deuterio-6-fluoro-N-[5-fluoro-4-[3-(trideuteriomethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[2,5-dideuterio-3-(trideuteriomethyl)imidazol-4-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-(3-(113C)methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[3-(trideuteriomethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILES[13CH3]n1cncc1-c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12.[2H]C([2H])([2H])n1cncc1-c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12.[2H]c1nc([2H])n(C([2H])([2H])[2H])c1-c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12.[2H]c1nc2c(C(=O)Nc3cncc(F)c3-c3c([2H])nc([2H])n3C)c(N)nn2cc1F.[2H]c1nc2c(C(=O)Nc3cncc(F)c3-c3cncn3C([2H])([2H])[2H])c(N)nn2cc1F
InChIInChI=1S/5C16H12F2N8O/c5*1-25-7-21-5-11(25)12-9(18)3-20-4-10(12)23-16(27)13-14(19)24-26-6-8(17)2-22-15(13)26/h5*2-7H,1H3,(H2,19,24)(H,23,27)/i2D,5D,7D;1D3,5D,7D;1D3,2D;1+1;1D3
InChIKeyBEUAPKWKSIPHNQ-SFAQIXNESA-N
MW1867.70 g/mol
LogP8.19
Rot. Bonds18

About 2-amino-5-deuterio-N-[4-(2,5-dideuterio-3-methylimidazol-4-yl)-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-deuterio-6-fluoro-N-[5-fluoro-4-[3-(trideuteriomethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[2,5-dideuterio-3-(trideuteriomethyl)imidazol-4-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-(3-(113C)methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[3-(trideuteriomethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-5-deuterio-N-[4-(2,5-dideuterio-3-methylimidazol-4-yl)-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-deuterio-6-fluoro-N-[5-fluoro-4-[3-(trideuteriomethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[2,5-dideuterio-3-(trideuteriomethyl)imidazol-4-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-(3-(113C)methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[3-(trideuteriomethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 157326485) has the molecular formula C80H60F10N40O5 and a molecular weight of 1867.70 g/mol. Its IUPAC name is 2-amino-5-deuterio-N-[4-(2,5-dideuterio-3-methylimidazol-4-yl)-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-deuterio-6-fluoro-N-[5-fluoro-4-[3-(trideuteriomethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[2,5-dideuterio-3-(trideuteriomethyl)imidazol-4-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-(3-(113C)methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[3-(trideuteriomethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-deuterio-N-[4-(2,5-dideuterio-3-methylimidazol-4-yl)-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-deuterio-6-fluoro-N-[5-fluoro-4-[3-(trideuteriomethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[2,5-dideuterio-3-(trideuteriomethyl)imidazol-4-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-(3-(113C)methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[3-(trideuteriomethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID157326485
Molecular FormulaC80H60F10N40O5
Molecular Weight1867.70 g/mol
Exact Mass1866.65
IUPAC Name2-amino-5-deuterio-N-[4-(2,5-dideuterio-3-methylimidazol-4-yl)-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-deuterio-6-fluoro-N-[5-fluoro-4-[3-(trideuteriomethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[2,5-dideuterio-3-(trideuteriomethyl)imidazol-4-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-(3-(113C)methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[3-(trideuteriomethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILES[13CH3]n1cncc1-c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12.[2H]C([2H])([2H])n1cncc1-c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12.[2H]c1nc([2H])n(C([2H])([2H])[2H])c1-c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12.[2H]c1nc2c(C(=O)Nc3cncc(F)c3-c3c([2H])nc([2H])n3C)c(N)nn2cc1F.[2H]c1nc2c(C(=O)Nc3cncc(F)c3-c3cncn3C([2H])([2H])[2H])c(N)nn2cc1F
InChIInChI=1S/5C16H12F2N8O/c5*1-25-7-21-5-11(25)12-9(18)3-20-4-10(12)23-16(27)13-14(19)24-26-6-8(17)2-22-15(13)26/h5*2-7H,1H3,(H2,19,24)(H,23,27)/i2D,5D,7D;1D3,5D,7D;1D3,2D;1+1;1D3
InChIKeyBEUAPKWKSIPHNQ-SFAQIXNESA-N
XLogP8.19
TPSA580.10 Ų
H-Bond Donors10
H-Bond Acceptors40
Rotatable Bonds18
Heavy Atoms135
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001867.70
LogP ≤ 58.19
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1040

Analyze 2-amino-5-deuterio-N-[4-(2,5-dideuterio-3-methylimidazol-4-yl)-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-deuterio-6-fluoro-N-[5-fluoro-4-[3-(trideuteriomethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[2,5-dideuterio-3-(trideuteriomethyl)imidazol-4-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-(3-(113C)methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[3-(trideuteriomethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-deuterio-N-[4-(2,5-dideuterio-3-methylimidazol-4-yl)-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-deuterio-6-fluoro-N-[5-fluoro-4-[3-(trideuteriomethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[2,5-dideuterio-3-(trideuteriomethyl)imidazol-4-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-(3-(113C)methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[3-(trideuteriomethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-5-deuterio-N-[4-(2,5-dideuterio-3-methylimidazol-4-yl)-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-deuterio-6-fluoro-N-[5-fluoro-4-[3-(trideuteriomethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[2,5-dideuterio-3-(trideuteriomethyl)imidazol-4-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-(3-(113C)methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[3-(trideuteriomethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 157326485) is 2-amino-5-deuterio-N-[4-(2,5-dideuterio-3-methylimidazol-4-yl)-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-deuterio-6-fluoro-N-[5-fluoro-4-[3-(trideuteriomethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[2,5-dideuterio-3-(trideuteriomethyl)imidazol-4-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-(3-(113C)methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[3-(trideuteriomethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-5-deuterio-N-[4-(2,5-dideuterio-3-methylimidazol-4-yl)-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-deuterio-6-fluoro-N-[5-fluoro-4-[3-(trideuteriomethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[2,5-dideuterio-3-(trideuteriomethyl)imidazol-4-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-(3-(113C)methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[3-(trideuteriomethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-5-deuterio-N-[4-(2,5-dideuterio-3-methylimidazol-4-yl)-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-deuterio-6-fluoro-N-[5-fluoro-4-[3-(trideuteriomethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[2,5-dideuterio-3-(trideuteriomethyl)imidazol-4-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-(3-(113C)methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[3-(trideuteriomethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is [13CH3]n1cncc1-c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12.[2H]C([2H])([2H])n1cncc1-c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12.[2H]c1nc([2H])n(C([2H])([2H])[2H])c1-c1c(F)cncc1NC(=O)c1c(N)nn2cc(F)cnc12.[2H]c1nc2c(C(=O)Nc3cncc(F)c3-c3c([2H])nc([2H])n3C)c(N)nn2cc1F.[2H]c1nc2c(C(=O)Nc3cncc(F)c3-c3cncn3C([2H])([2H])[2H])c(N)nn2cc1F.
What is the InChIKey of 2-amino-5-deuterio-N-[4-(2,5-dideuterio-3-methylimidazol-4-yl)-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-deuterio-6-fluoro-N-[5-fluoro-4-[3-(trideuteriomethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[2,5-dideuterio-3-(trideuteriomethyl)imidazol-4-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-(3-(113C)methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[3-(trideuteriomethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BEUAPKWKSIPHNQ-SFAQIXNESA-N. The full InChI is InChI=1S/5C16H12F2N8O/c5*1-25-7-21-5-11(25)12-9(18)3-20-4-10(12)23-16(27)13-14(19)24-26-6-8(17)2-22-15(13)26/h5*2-7H,1H3,(H2,19,24)(H,23,27)/i2D,5D,7D;1D3,5D,7D;1D3,2D;1+1;1D3.
What are the key properties of 2-amino-5-deuterio-N-[4-(2,5-dideuterio-3-methylimidazol-4-yl)-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-deuterio-6-fluoro-N-[5-fluoro-4-[3-(trideuteriomethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[2,5-dideuterio-3-(trideuteriomethyl)imidazol-4-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-(3-(113C)methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[3-(trideuteriomethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-5-deuterio-N-[4-(2,5-dideuterio-3-methylimidazol-4-yl)-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-deuterio-6-fluoro-N-[5-fluoro-4-[3-(trideuteriomethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[2,5-dideuterio-3-(trideuteriomethyl)imidazol-4-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-(3-(113C)methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[3-(trideuteriomethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 1867.70 g/mol, XLogP of 8.19, 18 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-deuterio-N-[4-(2,5-dideuterio-3-methylimidazol-4-yl)-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-5-deuterio-6-fluoro-N-[5-fluoro-4-[3-(trideuteriomethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[4-[2,5-dideuterio-3-(trideuteriomethyl)imidazol-4-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-(3-(113C)methylimidazol-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[3-(trideuteriomethyl)imidazol-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 157326485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).