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

C27H30N6O2 — CID 66807180

IUPACN-[(3R)-1-benzylpiperidin-3-yl]-3-(2-methyl-1,3-benzoxazol-6-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1nc2ccc(-c3n[nH]c4c3CN(C(=O)N[C@@H]3CCCN(Cc5ccccc5)C3)CC4)cc2o1
InChIInChI=1S/C27H30N6O2/c1-18-28-24-10-9-20(14-25(24)35-18)26-22-17-33(13-11-23(22)30-31-26)27(34)29-21-8-5-12-32(16-21)15-19-6-3-2-4-7-19/h2-4,6-7,9-10,14,21H,5,8,11-13,15-17H2,1H3,(H,29,34)(H,30,31)/t21-/m1/s1
InChIKeyISODNBVKPQFIBZ-OAQYLSRUSA-N
MW470.58 g/mol
LogP4.26
Rot. Bonds4

About 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

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 (PubChem CID 66807180) has the molecular formula C27H30N6O2 and a molecular weight of 470.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(3R)-1-benzylpiperidin-3-yl]-3-(2-methyl-1,3-benzoxazol-6-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID66807180
Molecular FormulaC27H30N6O2
Molecular Weight470.58 g/mol
Exact Mass470.24
IUPAC NameN-[(3R)-1-benzylpiperidin-3-yl]-3-(2-methyl-1,3-benzoxazol-6-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCc1nc2ccc(-c3n[nH]c4c3CN(C(=O)N[C@@H]3CCCN(Cc5ccccc5)C3)CC4)cc2o1
InChIInChI=1S/C27H30N6O2/c1-18-28-24-10-9-20(14-25(24)35-18)26-22-17-33(13-11-23(22)30-31-26)27(34)29-21-8-5-12-32(16-21)15-19-6-3-2-4-7-19/h2-4,6-7,9-10,14,21H,5,8,11-13,15-17H2,1H3,(H,29,34)(H,30,31)/t21-/m1/s1
InChIKeyISODNBVKPQFIBZ-OAQYLSRUSA-N
XLogP4.26
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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-[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-[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
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
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-[(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-(2,3-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
N-(1-benzylpiperidin-3-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide
CID 87007645
N-[1-[(2-chlorophenyl)methyl]-5-methylpiperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 56941918
(4-benzylpiperazin-1-yl)-(2-methyl-1,3-benzoxazol-6-yl)methanone
CID 110765233
3-(2,3-dimethyl-7,7a-dihydro-2H-1,3-benzothiazol-5-yl)-N-[1-[(2-methylphenyl)methyl]piperidin-3-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 123802643
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc2ccc(-c3n[nH]c4c3CN(C(=O)N[C@@H]3CCCN(Cc5ccccc5)C3)CC4)cc2o1.
What is the InChIKey of 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?
The InChIKey is ISODNBVKPQFIBZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H30N6O2/c1-18-28-24-10-9-20(14-25(24)35-18)26-22-17-33(13-11-23(22)30-31-26)27(34)29-21-8-5-12-32(16-21)15-19-6-3-2-4-7-19/h2-4,6-7,9-10,14,21H,5,8,11-13,15-17H2,1H3,(H,29,34)(H,30,31)/t21-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 470.58 g/mol, XLogP of 4.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 66807180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).