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

C24H29F2N9O2 — CID 90199034

IUPAC2-amino-6-fluoro-N-[5-fluoro-4-[4-methyl-4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCN(C(=O)C2(C)CCN(c3c(F)cncc3NC(=O)c3c(N)nn4cc(F)cnc34)CC2)CC1
InChIInChI=1S/C24H29F2N9O2/c1-24(23(37)34-9-7-32(2)8-10-34)3-5-33(6-4-24)19-16(26)12-28-13-17(19)30-22(36)18-20(27)31-35-14-15(25)11-29-21(18)35/h11-14H,3-10H2,1-2H3,(H2,27,31)(H,30,36)
InChIKeyQXAJJNLAKSOMHC-UHFFFAOYSA-N
MW513.55 g/mol
LogP1.62
Rot. Bonds4

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

2-amino-6-fluoro-N-[5-fluoro-4-[4-methyl-4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 90199034) has the molecular formula C24H29F2N9O2 and a molecular weight of 513.55 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[5-fluoro-4-[4-methyl-4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[5-fluoro-4-[4-methyl-4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID90199034
Molecular FormulaC24H29F2N9O2
Molecular Weight513.55 g/mol
Exact Mass513.24
IUPAC Name2-amino-6-fluoro-N-[5-fluoro-4-[4-methyl-4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCN(C(=O)C2(C)CCN(c3c(F)cncc3NC(=O)c3c(N)nn4cc(F)cnc34)CC2)CC1
InChIInChI=1S/C24H29F2N9O2/c1-24(23(37)34-9-7-32(2)8-10-34)3-5-33(6-4-24)19-16(26)12-28-13-17(19)30-22(36)18-20(27)31-35-14-15(25)11-29-21(18)35/h11-14H,3-10H2,1-2H3,(H2,27,31)(H,30,36)
InChIKeyQXAJJNLAKSOMHC-UHFFFAOYSA-N
XLogP1.62
TPSA124.99 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.55
LogP ≤ 51.62
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-[5-fluoro-4-[4-methyl-4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[5-fluoro-4-[4-methyl-4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 90199034) is 2-amino-6-fluoro-N-[5-fluoro-4-[4-methyl-4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[5-fluoro-4-[4-methyl-4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[5-fluoro-4-[4-methyl-4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCN(C(=O)C2(C)CCN(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-methyl-4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QXAJJNLAKSOMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N9O2/c1-24(23(37)34-9-7-32(2)8-10-34)3-5-33(6-4-24)19-16(26)12-28-13-17(19)30-22(36)18-20(27)31-35-14-15(25)11-29-21(18)35/h11-14H,3-10H2,1-2H3,(H2,27,31)(H,30,36).
What are the key properties of 2-amino-6-fluoro-N-[5-fluoro-4-[4-methyl-4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[5-fluoro-4-[4-methyl-4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 513.55 g/mol, XLogP of 1.62, 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-[5-fluoro-4-[4-methyl-4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 90199034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).