2-[4-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H29FN8O2 — CID 168858981

IUPAC2-[4-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1c(-c2cncc(F)c2N2CCC(C(=O)N3CCN4CCCC4C3)CC2)nn2cccnc12
InChIInChI=1S/C25H29FN8O2/c26-19-14-28-13-18(21-20(23(27)35)24-29-6-2-8-34(24)30-21)22(19)32-9-4-16(5-10-32)25(36)33-12-11-31-7-1-3-17(31)15-33/h2,6,8,13-14,16-17H,1,3-5,7,9-12,15H2,(H2,27,35)
InChIKeyONPUWOGVABUXTJ-UHFFFAOYSA-N
MW492.56 g/mol
LogP1.55
Rot. Bonds4

About 2-[4-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-[4-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 168858981) has the molecular formula C25H29FN8O2 and a molecular weight of 492.56 g/mol. Its IUPAC name is 2-[4-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID168858981
Molecular FormulaC25H29FN8O2
Molecular Weight492.56 g/mol
Exact Mass492.24
IUPAC Name2-[4-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1c(-c2cncc(F)c2N2CCC(C(=O)N3CCN4CCCC4C3)CC2)nn2cccnc12
InChIInChI=1S/C25H29FN8O2/c26-19-14-28-13-18(21-20(23(27)35)24-29-6-2-8-34(24)30-21)22(19)32-9-4-16(5-10-32)25(36)33-12-11-31-7-1-3-17(31)15-33/h2,6,8,13-14,16-17H,1,3-5,7,9-12,15H2,(H2,27,35)
InChIKeyONPUWOGVABUXTJ-UHFFFAOYSA-N
XLogP1.55
TPSA112.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.56
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[4-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-amino-6-fluoro-N-[5-fluoro-4-[4-(4-piperidin-1-ylpiperidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199371
2-amino-N-[4-[4-[4-(azetidin-1-yl)piperidine-1-carbonyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199659
2-amino-6-fluoro-N-[5-fluoro-4-[4-(3-piperidin-1-ylazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[4-[(3S)-3-pyrrolidin-1-ylpyrrolidine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-methyl-4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-methyl-4-[4-(piperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 158831334
(4-cyclopentylpiperazin-1-yl)-(2-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 87045188
2-[(3S)-3-hydroxypiperidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 175860357
2-amino-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 169172215
2-amino-5-deuterio-6-fluoro-N-[5-fluoro-4-[4-[4-(oxetan-3-yl)piperazine-1-carbonyl]piperidin-1-yl]-3-pyridinyl](313C)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118137342
2-amino-6-fluoro-N-[5-fluoro-4-[4-(3-hydroxy-3-methylazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199563
2-amino-6-chloro-N-[5-fluoro-4-[4-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90200036
2-amino-N-[4-[4-[4-(azetidin-1-yl)piperidine-1-carbonyl]piperidin-1-yl]-5-fluoro-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-N-[5-chloro-4-[4-(1,4-diazabicyclo[3.2.1]octane-4-carbonyl)piperidin-1-yl]-3-pyridinyl]-6-fluoropyrazolo[1,5-a]pyrimidine-3-carboxamide;2-amino-6-fluoro-N-[5-fluoro-4-[4-(3-fluoroazetidine-1-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 157263355
2-amino-6-fluoro-N-[5-fluoro-4-[4-(5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carbonyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90199878
(4-methylpiperidin-1-yl)-[1-(2-methylpyrazolo[1,5-a]pyrimidine-3-carbonyl)piperidin-4-yl]methanone
CID 86824146

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-[4-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 168858981) is 2-[4-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-[4-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-[4-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is NC(=O)c1c(-c2cncc(F)c2N2CCC(C(=O)N3CCN4CCCC4C3)CC2)nn2cccnc12.
What is the InChIKey of 2-[4-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ONPUWOGVABUXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN8O2/c26-19-14-28-13-18(21-20(23(27)35)24-29-6-2-8-34(24)30-21)22(19)32-9-4-16(5-10-32)25(36)33-12-11-31-7-1-3-17(31)15-33/h2,6,8,13-14,16-17H,1,3-5,7,9-12,15H2,(H2,27,35).
What are the key properties of 2-[4-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-[4-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 492.56 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)piperidin-1-yl]-5-fluoro-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 168858981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).