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

C24H29FN8O2 — CID 86721025

IUPAC2-amino-6-fluoro-N-[4-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCC(C(=O)N2CCC(c3ccncc3NC(=O)c3c(N)nn4cc(F)cnc34)CC2)CC1
InChIInChI=1S/C24H29FN8O2/c1-31-8-3-16(4-9-31)24(35)32-10-5-15(6-11-32)18-2-7-27-13-19(18)29-23(34)20-21(26)30-33-14-17(25)12-28-22(20)33/h2,7,12-16H,3-6,8-11H2,1H3,(H2,26,30)(H,29,34)
InChIKeyDFQJNWMDXXQXHD-UHFFFAOYSA-N
MW480.55 g/mol
LogP2.15
Rot. Bonds4

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

2-amino-6-fluoro-N-[4-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 86721025) has the molecular formula C24H29FN8O2 and a molecular weight of 480.55 g/mol. Its IUPAC name is 2-amino-6-fluoro-N-[4-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-fluoro-N-[4-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID86721025
Molecular FormulaC24H29FN8O2
Molecular Weight480.55 g/mol
Exact Mass480.24
IUPAC Name2-amino-6-fluoro-N-[4-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN1CCC(C(=O)N2CCC(c3ccncc3NC(=O)c3c(N)nn4cc(F)cnc34)CC2)CC1
InChIInChI=1S/C24H29FN8O2/c1-31-8-3-16(4-9-31)24(35)32-10-5-15(6-11-32)18-2-7-27-13-19(18)29-23(34)20-21(26)30-33-14-17(25)12-28-22(20)33/h2,7,12-16H,3-6,8-11H2,1H3,(H2,26,30)(H,29,34)
InChIKeyDFQJNWMDXXQXHD-UHFFFAOYSA-N
XLogP2.15
TPSA121.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.55
LogP ≤ 52.15
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-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-6-fluoro-N-[4-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 86721025) is 2-amino-6-fluoro-N-[4-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-6-fluoro-N-[4-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-6-fluoro-N-[4-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN1CCC(C(=O)N2CCC(c3ccncc3NC(=O)c3c(N)nn4cc(F)cnc34)CC2)CC1.
What is the InChIKey of 2-amino-6-fluoro-N-[4-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DFQJNWMDXXQXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN8O2/c1-31-8-3-16(4-9-31)24(35)32-10-5-15(6-11-32)18-2-7-27-13-19(18)29-23(34)20-21(26)30-33-14-17(25)12-28-22(20)33/h2,7,12-16H,3-6,8-11H2,1H3,(H2,26,30)(H,29,34).
What are the key properties of 2-amino-6-fluoro-N-[4-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-6-fluoro-N-[4-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 480.55 g/mol, XLogP of 2.15, 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-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 86721025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).