N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-(6-phenyl-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

C30H30F2N6O — CID 56941343

IUPACN-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-(6-phenyl-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESO=C(NC1CCCN(Cc2c(F)cccc2F)C1)N1CCc2[nH]nc(-c3ccc(-c4ccccc4)nc3)c2C1
InChIInChI=1S/C30H30F2N6O/c31-25-9-4-10-26(32)23(25)18-37-14-5-8-22(17-37)34-30(39)38-15-13-28-24(19-38)29(36-35-28)21-11-12-27(33-16-21)20-6-2-1-3-7-20/h1-4,6-7,9-12,16,22H,5,8,13-15,17-19H2,(H,34,39)(H,35,36)
InChIKeyAVUUDAKBELHXEL-UHFFFAOYSA-N
MW528.61 g/mol
LogP5.15
Rot. Bonds5

About N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-(6-phenyl-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide

N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-(6-phenyl-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 56941343) has the molecular formula C30H30F2N6O and a molecular weight of 528.61 g/mol. Its IUPAC name is N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-(6-phenyl-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-(6-phenyl-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID56941343
Molecular FormulaC30H30F2N6O
Molecular Weight528.61 g/mol
Exact Mass528.24
IUPAC NameN-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-(6-phenyl-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESO=C(NC1CCCN(Cc2c(F)cccc2F)C1)N1CCc2[nH]nc(-c3ccc(-c4ccccc4)nc3)c2C1
InChIInChI=1S/C30H30F2N6O/c31-25-9-4-10-26(32)23(25)18-37-14-5-8-22(17-37)34-30(39)38-15-13-28-24(19-38)29(36-35-28)21-11-12-27(33-16-21)20-6-2-1-3-7-20/h1-4,6-7,9-12,16,22H,5,8,13-15,17-19H2,(H,34,39)(H,35,36)
InChIKeyAVUUDAKBELHXEL-UHFFFAOYSA-N
XLogP5.15
TPSA77.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.61
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2,6-dimethylphenyl)methyl]piperidin-3-yl]-3-(3-fluoro-4-methoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 56941200
1-[(2,6-difluorophenyl)methyl]-5-[[3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]amino]piperidine-3-carboxylic acid
CID 56941038
2-[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-1-(3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
CID 149368062
N-[(3R)-1-benzylpiperidin-3-yl]-3-(2-methyl-1,3-benzoxazol-6-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 66807180
N-[(3R)-1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-3-pyridin-4-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 56942061
3-(2-methyl-1,3-benzoxazol-5-yl)-N-[1-(quinolin-4-ylmethyl)piperidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 56941640
N-[(3R)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 66807189
N-[1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-3-(2-methyl-1,3-benzothiazol-6-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 56941780
N-(oxolan-2-ylmethyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 53185476
3-(2,3-dihydro-1-benzofuran-5-yl)-N-[1-(6,7-dihydro-1-benzothiophen-3-ylmethyl)piperidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 123884577
[[4-amino-1-[[(3R)-1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-yl]carbamoyl]-3,6-dihydro-2H-pyridin-5-yl]-pyridin-4-ylmethylidene]azanium
CID 163810082
N,3-diphenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121435107

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-(6-phenyl-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-(6-phenyl-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 56941343) is N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-(6-phenyl-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-(6-phenyl-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-(6-phenyl-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is O=C(NC1CCCN(Cc2c(F)cccc2F)C1)N1CCc2[nH]nc(-c3ccc(-c4ccccc4)nc3)c2C1.
What is the InChIKey of N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-(6-phenyl-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is AVUUDAKBELHXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F2N6O/c31-25-9-4-10-26(32)23(25)18-37-14-5-8-22(17-37)34-30(39)38-15-13-28-24(19-38)29(36-35-28)21-11-12-27(33-16-21)20-6-2-1-3-7-20/h1-4,6-7,9-12,16,22H,5,8,13-15,17-19H2,(H,34,39)(H,35,36).
What are the key properties of N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-(6-phenyl-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide?
N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-(6-phenyl-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 528.61 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-3-(6-phenyl-3-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 56941343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).