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

C24H24FN9O2 — CID 90199738

IUPAC2-amino-6-fluoro-N-[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc(C(=O)N2CCN(C)CC2)ccc1-c1ccncc1NC(=O)c1c(N)nn2cc(F)cnc12
InChIInChI=1S/C24H24FN9O2/c1-14-16(3-4-18(29-14)24(36)33-9-7-32(2)8-10-33)17-5-6-27-12-19(17)30-23(35)20-21(26)31-34-13-15(25)11-28-22(20)34/h3-6,11-13H,7-10H2,1-2H3,(H2,26,31)(H,30,35)
InChIKeyANDXHKFYARVSOH-UHFFFAOYSA-N
MW489.52 g/mol
LogP1.86
Rot. Bonds4

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

2-amino-6-fluoro-N-[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199738) has the molecular formula C24H24FN9O2 and a molecular weight of 489.52 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-[2-methyl-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-[2-methyl-6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90199738
Molecular FormulaC24H24FN9O2
Molecular Weight489.52 g/mol
Exact Mass489.20
IUPAC Name2-amino-6-fluoro-N-[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc(C(=O)N2CCN(C)CC2)ccc1-c1ccncc1NC(=O)c1c(N)nn2cc(F)cnc12
InChIInChI=1S/C24H24FN9O2/c1-14-16(3-4-18(29-14)24(36)33-9-7-32(2)8-10-33)17-5-6-27-12-19(17)30-23(35)20-21(26)31-34-13-15(25)11-28-22(20)34/h3-6,11-13H,7-10H2,1-2H3,(H2,26,31)(H,30,35)
InChIKeyANDXHKFYARVSOH-UHFFFAOYSA-N
XLogP1.86
TPSA134.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.52
LogP ≤ 51.86
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-(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-[2-methyl-6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199738) is 2-amino-6-fluoro-N-[4-[2-methyl-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-[2-methyl-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-[2-methyl-6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc(C(=O)N2CCN(C)CC2)ccc1-c1ccncc1NC(=O)c1c(N)nn2cc(F)cnc12.
What is the InChIKey of 2-amino-6-fluoro-N-[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ANDXHKFYARVSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN9O2/c1-14-16(3-4-18(29-14)24(36)33-9-7-32(2)8-10-33)17-5-6-27-12-19(17)30-23(35)20-21(26)31-34-13-15(25)11-28-22(20)34/h3-6,11-13H,7-10H2,1-2H3,(H2,26,31)(H,30,35).
What are the key properties of 2-amino-6-fluoro-N-[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[4-[2-methyl-6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 489.52 g/mol, XLogP of 1.86, 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-[2-methyl-6-(4-methylpiperazine-1-carbonyl)-3-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).