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

C24H22F2N8O2 — CID 90200150

IUPAC2-amino-6-fluoro-N-[5-fluoro-4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCN(C(=O)c2ccc(-c3c(F)cncc3NC(=O)c3c(N)nn4cc(F)cnc34)cc2)CC1
InChIInChI=1S/C24H22F2N8O2/c1-32-6-8-33(9-7-32)24(36)15-4-2-14(3-5-15)19-17(26)11-28-12-18(19)30-23(35)20-21(27)31-34-13-16(25)10-29-22(20)34/h2-5,10-13H,6-9H2,1H3,(H2,27,31)(H,30,35)
InChIKeyJGKIAQVVTLAMKA-UHFFFAOYSA-N
MW492.49 g/mol
LogP2.29
Rot. Bonds4

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

2-amino-6-fluoro-N-[5-fluoro-4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90200150) has the molecular formula C24H22F2N8O2 and a molecular weight of 492.49 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[5-fluoro-4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[5-fluoro-4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90200150
Molecular FormulaC24H22F2N8O2
Molecular Weight492.49 g/mol
Exact Mass492.18
IUPAC Name2-amino-6-fluoro-N-[5-fluoro-4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCN(C(=O)c2ccc(-c3c(F)cncc3NC(=O)c3c(N)nn4cc(F)cnc34)cc2)CC1
InChIInChI=1S/C24H22F2N8O2/c1-32-6-8-33(9-7-32)24(36)15-4-2-14(3-5-15)19-17(26)11-28-12-18(19)30-23(35)20-21(27)31-34-13-16(25)10-29-22(20)34/h2-5,10-13H,6-9H2,1H3,(H2,27,31)(H,30,35)
InChIKeyJGKIAQVVTLAMKA-UHFFFAOYSA-N
XLogP2.29
TPSA121.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.49
LogP ≤ 52.29
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-[5-fluoro-4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[5-fluoro-4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90200150) is 2-amino-6-fluoro-N-[5-fluoro-4-[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-[5-fluoro-4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[5-fluoro-4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCN(C(=O)c2ccc(-c3c(F)cncc3NC(=O)c3c(N)nn4cc(F)cnc34)cc2)CC1.
What is the InChIKey of 2-amino-6-fluoro-N-[5-fluoro-4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is JGKIAQVVTLAMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N8O2/c1-32-6-8-33(9-7-32)24(36)15-4-2-14(3-5-15)19-17(26)11-28-12-18(19)30-23(35)20-21(27)31-34-13-16(25)10-29-22(20)34/h2-5,10-13H,6-9H2,1H3,(H2,27,31)(H,30,35).
What are the key properties of 2-amino-6-fluoro-N-[5-fluoro-4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[5-fluoro-4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 492.49 g/mol, XLogP of 2.29, 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-[5-fluoro-4-[4-(4-methylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90200150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).