N-[4-fluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-3,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-5-carboxamide

C27H31F2N7O2 — CID 123226700

IUPACN-[4-fluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-3,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCOc1cccc(F)c1CN1CCC(F)C(NC(=O)N2CCC3N=NC(c4ccc5nccn5c4)C3C2)C1
InChIInChI=1S/C27H31F2N7O2/c1-38-24-4-2-3-20(28)18(24)14-34-10-7-21(29)23(16-34)31-27(37)36-11-8-22-19(15-36)26(33-32-22)17-5-6-25-30-9-12-35(25)13-17/h2-6,9,12-13,19,21-23,26H,7-8,10-11,14-16H2,1H3,(H,31,37)
InChIKeyIBBPIFMUFLOOPS-UHFFFAOYSA-N
MW523.59 g/mol
LogP4.00
Rot. Bonds5

About N-[4-fluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-3,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-5-carboxamide

N-[4-fluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-3,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 123226700) has the molecular formula C27H31F2N7O2 and a molecular weight of 523.59 g/mol. Its IUPAC name is N-[4-fluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-3,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-3,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID123226700
Molecular FormulaC27H31F2N7O2
Molecular Weight523.59 g/mol
Exact Mass523.25
IUPAC NameN-[4-fluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-3,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCOc1cccc(F)c1CN1CCC(F)C(NC(=O)N2CCC3N=NC(c4ccc5nccn5c4)C3C2)C1
InChIInChI=1S/C27H31F2N7O2/c1-38-24-4-2-3-20(28)18(24)14-34-10-7-21(29)23(16-34)31-27(37)36-11-8-22-19(15-36)26(33-32-22)17-5-6-25-30-9-12-35(25)13-17/h2-6,9,12-13,19,21-23,26H,7-8,10-11,14-16H2,1H3,(H,31,37)
InChIKeyIBBPIFMUFLOOPS-UHFFFAOYSA-N
XLogP4.00
TPSA86.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.59
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-fluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-3,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-3,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-[4-fluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-3,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 123226700) is N-[4-fluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-3,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[4-fluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-3,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-[4-fluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-3,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-5-carboxamide is COc1cccc(F)c1CN1CCC(F)C(NC(=O)N2CCC3N=NC(c4ccc5nccn5c4)C3C2)C1.
What is the InChIKey of N-[4-fluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-3,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is IBBPIFMUFLOOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F2N7O2/c1-38-24-4-2-3-20(28)18(24)14-34-10-7-21(29)23(16-34)31-27(37)36-11-8-22-19(15-36)26(33-32-22)17-5-6-25-30-9-12-35(25)13-17/h2-6,9,12-13,19,21-23,26H,7-8,10-11,14-16H2,1H3,(H,31,37).
What are the key properties of N-[4-fluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-3,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-5-carboxamide?
N-[4-fluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-3,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 523.59 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-imidazo[1,2-a]pyridin-6-yl-3,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 123226700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).