2-amino-6-fluoro-N-[4-[6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H22FN9O2 — CID 90199853

IUPAC2-amino-6-fluoro-N-[4-[6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCN(C(=O)c2ccc(-c3ccncc3NC(=O)c3c(N)nn4cc(F)cnc34)cn2)CC1
InChIInChI=1S/C23H22FN9O2/c1-31-6-8-32(9-7-31)23(35)17-3-2-14(10-27-17)16-4-5-26-12-18(16)29-22(34)19-20(25)30-33-13-15(24)11-28-21(19)33/h2-5,10-13H,6-9H2,1H3,(H2,25,30)(H,29,34)
InChIKeyLAKZKBAUUBCAKB-UHFFFAOYSA-N
MW475.49 g/mol
LogP1.55
Rot. Bonds4

About 2-amino-6-fluoro-N-[4-[6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-6-fluoro-N-[4-[6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199853) has the molecular formula C23H22FN9O2 and a molecular weight of 475.49 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-[6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[4-[6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90199853
Molecular FormulaC23H22FN9O2
Molecular Weight475.49 g/mol
Exact Mass475.19
IUPAC Name2-amino-6-fluoro-N-[4-[6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCN(C(=O)c2ccc(-c3ccncc3NC(=O)c3c(N)nn4cc(F)cnc34)cn2)CC1
InChIInChI=1S/C23H22FN9O2/c1-31-6-8-32(9-7-31)23(35)17-3-2-14(10-27-17)16-4-5-26-12-18(16)29-22(34)19-20(25)30-33-13-15(24)11-28-21(19)33/h2-5,10-13H,6-9H2,1H3,(H2,25,30)(H,29,34)
InChIKeyLAKZKBAUUBCAKB-UHFFFAOYSA-N
XLogP1.55
TPSA134.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.49
LogP ≤ 51.55
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-[6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[4-[6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199853) is 2-amino-6-fluoro-N-[4-[6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[4-[6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[4-[6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCN(C(=O)c2ccc(-c3ccncc3NC(=O)c3c(N)nn4cc(F)cnc34)cn2)CC1.
What is the InChIKey of 2-amino-6-fluoro-N-[4-[6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LAKZKBAUUBCAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN9O2/c1-31-6-8-32(9-7-31)23(35)17-3-2-14(10-27-17)16-4-5-26-12-18(16)29-22(34)19-20(25)30-33-13-15(24)11-28-21(19)33/h2-5,10-13H,6-9H2,1H3,(H2,25,30)(H,29,34).
What are the key properties of 2-amino-6-fluoro-N-[4-[6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[4-[6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 475.49 g/mol, XLogP of 1.55, 4 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-[6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).