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

C25H25FN8O2 — CID 90199733

IUPAC2-amino-6-fluoro-N-[4-[2-methyl-4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C(=O)N2CCN(C)CC2)ccc1-c1ccncc1NC(=O)c1c(N)nn2cc(F)cnc12
InChIInChI=1S/C25H25FN8O2/c1-15-11-16(25(36)33-9-7-32(2)8-10-33)3-4-18(15)19-5-6-28-13-20(19)30-24(35)21-22(27)31-34-14-17(26)12-29-23(21)34/h3-6,11-14H,7-10H2,1-2H3,(H2,27,31)(H,30,35)
InChIKeyWASFUBALWKDJGG-UHFFFAOYSA-N
MW488.53 g/mol
LogP2.46
Rot. Bonds4

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

2-amino-6-fluoro-N-[4-[2-methyl-4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199733) has the molecular formula C25H25FN8O2 and a molecular weight of 488.53 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-[2-methyl-4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[4-[2-methyl-4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90199733
Molecular FormulaC25H25FN8O2
Molecular Weight488.53 g/mol
Exact Mass488.21
IUPAC Name2-amino-6-fluoro-N-[4-[2-methyl-4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(C(=O)N2CCN(C)CC2)ccc1-c1ccncc1NC(=O)c1c(N)nn2cc(F)cnc12
InChIInChI=1S/C25H25FN8O2/c1-15-11-16(25(36)33-9-7-32(2)8-10-33)3-4-18(15)19-5-6-28-13-20(19)30-24(35)21-22(27)31-34-14-17(26)12-29-23(21)34/h3-6,11-14H,7-10H2,1-2H3,(H2,27,31)(H,30,35)
InChIKeyWASFUBALWKDJGG-UHFFFAOYSA-N
XLogP2.46
TPSA121.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.53
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-fluoro-N-[4-[2-methyl-4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[4-[2-methyl-4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199733) is 2-amino-6-fluoro-N-[4-[2-methyl-4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[4-[2-methyl-4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[4-[2-methyl-4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(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-4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WASFUBALWKDJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN8O2/c1-15-11-16(25(36)33-9-7-32(2)8-10-33)3-4-18(15)19-5-6-28-13-20(19)30-24(35)21-22(27)31-34-14-17(26)12-29-23(21)34/h3-6,11-14H,7-10H2,1-2H3,(H2,27,31)(H,30,35).
What are the key properties of 2-amino-6-fluoro-N-[4-[2-methyl-4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[4-[2-methyl-4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 488.53 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-fluoro-N-[4-[2-methyl-4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).