2-amino-6-fluoro-N-[4-[2-methyl-6-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H23FN8O2 — CID 90199752

IUPAC2-amino-6-fluoro-N-[4-[2-methyl-6-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc(O[C@@H]2CCN(C)C2)ccc1-c1ccncc1NC(=O)c1c(N)nn2cc(F)cnc12
InChIInChI=1S/C23H23FN8O2/c1-13-16(3-4-19(28-13)34-15-6-8-31(2)12-15)17-5-7-26-10-18(17)29-23(33)20-21(25)30-32-11-14(24)9-27-22(20)32/h3-5,7,9-11,15H,6,8,12H2,1-2H3,(H2,25,30)(H,29,33)/t15-/m1/s1
InChIKeyJFZMDGFUYSMIHQ-OAHLLOKOSA-N
MW462.49 g/mol
LogP2.55
Rot. Bonds5

About 2-amino-6-fluoro-N-[4-[2-methyl-6-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-fluoro-N-[4-[2-methyl-6-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199752) has the molecular formula C23H23FN8O2 and a molecular weight of 462.49 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-[2-methyl-6-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[4-[2-methyl-6-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90199752
Molecular FormulaC23H23FN8O2
Molecular Weight462.49 g/mol
Exact Mass462.19
IUPAC Name2-amino-6-fluoro-N-[4-[2-methyl-6-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc(O[C@@H]2CCN(C)C2)ccc1-c1ccncc1NC(=O)c1c(N)nn2cc(F)cnc12
InChIInChI=1S/C23H23FN8O2/c1-13-16(3-4-19(28-13)34-15-6-8-31(2)12-15)17-5-7-26-10-18(17)29-23(33)20-21(25)30-32-11-14(24)9-27-22(20)32/h3-5,7,9-11,15H,6,8,12H2,1-2H3,(H2,25,30)(H,29,33)/t15-/m1/s1
InChIKeyJFZMDGFUYSMIHQ-OAHLLOKOSA-N
XLogP2.55
TPSA123.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.49
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[4-[2-methyl-6-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[4-[2-methyl-6-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199752) is 2-amino-6-fluoro-N-[4-[2-methyl-6-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[4-[2-methyl-6-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[4-[2-methyl-6-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc(O[C@@H]2CCN(C)C2)ccc1-c1ccncc1NC(=O)c1c(N)nn2cc(F)cnc12.
What is the InChIKey of 2-amino-6-fluoro-N-[4-[2-methyl-6-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JFZMDGFUYSMIHQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H23FN8O2/c1-13-16(3-4-19(28-13)34-15-6-8-31(2)12-15)17-5-7-26-10-18(17)29-23(33)20-21(25)30-32-11-14(24)9-27-22(20)32/h3-5,7,9-11,15H,6,8,12H2,1-2H3,(H2,25,30)(H,29,33)/t15-/m1/s1.
What are the key properties of 2-amino-6-fluoro-N-[4-[2-methyl-6-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[4-[2-methyl-6-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 462.49 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[4-[2-methyl-6-[(3R)-1-methylpyrrolidin-3-yl]oxy-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).