4-[[5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]amino]-N-(3-methylphenyl)piperidine-1-carboxamide

C27H30N6O3 — CID 143372736

IUPAC4-[[5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]amino]-N-(3-methylphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(-c2ccc3[nH]nc(NC4CCN(C(=O)Nc5cccc(C)c5)CC4)c3n2)cc1OC
InChIInChI=1S/C27H30N6O3/c1-17-5-4-6-20(15-17)29-27(34)33-13-11-19(12-14-33)28-26-25-22(31-32-26)9-8-21(30-25)18-7-10-23(35-2)24(16-18)36-3/h4-10,15-16,19H,11-14H2,1-3H3,(H,29,34)(H2,28,31,32)
InChIKeyBBOCQXFDUCEMGW-UHFFFAOYSA-N
MW486.58 g/mol
LogP5.06
Rot. Bonds6

About 4-[[5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]amino]-N-(3-methylphenyl)piperidine-1-carboxamide

4-[[5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]amino]-N-(3-methylphenyl)piperidine-1-carboxamide (PubChem CID 143372736) has the molecular formula C27H30N6O3 and a molecular weight of 486.58 g/mol. Its IUPAC name is 4-[[5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]amino]-N-(3-methylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]amino]-N-(3-methylphenyl)piperidine-1-carboxamide
PubChem CID143372736
Molecular FormulaC27H30N6O3
Molecular Weight486.58 g/mol
Exact Mass486.24
IUPAC Name4-[[5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]amino]-N-(3-methylphenyl)piperidine-1-carboxamide
SMILESCOc1ccc(-c2ccc3[nH]nc(NC4CCN(C(=O)Nc5cccc(C)c5)CC4)c3n2)cc1OC
InChIInChI=1S/C27H30N6O3/c1-17-5-4-6-20(15-17)29-27(34)33-13-11-19(12-14-33)28-26-25-22(31-32-26)9-8-21(30-25)18-7-10-23(35-2)24(16-18)36-3/h4-10,15-16,19H,11-14H2,1-3H3,(H,29,34)(H2,28,31,32)
InChIKeyBBOCQXFDUCEMGW-UHFFFAOYSA-N
XLogP5.06
TPSA104.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.58
LogP ≤ 55.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-(3,4-dimethoxyphenyl)-2-methylpyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 11518930
4-[2-butoxy-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 25154488
1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 16645831
1-[2-acetamido-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(3-methylphenyl)piperazine-2-carboxamide
CID 69078717
N-(3-chlorophenyl)-4-[6-[3-(cyclopropylmethoxy)-4-methoxyphenyl]pyrido[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide
CID 59647854
4-[2-amino-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide
CID 68919359
4-(methanesulfonamido)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 41430122
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
4-[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 17184547
4-(1-aminoethyl)-N-(3-methylphenyl)piperidine-1-carboxamide
CID 63596208
4-benzamido-N-(3-methylphenyl)piperidine-1-carboxamide
CID 43814049

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]amino]-N-(3-methylphenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[[5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]amino]-N-(3-methylphenyl)piperidine-1-carboxamide (CID 143372736) is 4-[[5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]amino]-N-(3-methylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[[5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]amino]-N-(3-methylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[[5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]amino]-N-(3-methylphenyl)piperidine-1-carboxamide is COc1ccc(-c2ccc3[nH]nc(NC4CCN(C(=O)Nc5cccc(C)c5)CC4)c3n2)cc1OC.
What is the InChIKey of 4-[[5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]amino]-N-(3-methylphenyl)piperidine-1-carboxamide?
The InChIKey is BBOCQXFDUCEMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O3/c1-17-5-4-6-20(15-17)29-27(34)33-13-11-19(12-14-33)28-26-25-22(31-32-26)9-8-21(30-25)18-7-10-23(35-2)24(16-18)36-3/h4-10,15-16,19H,11-14H2,1-3H3,(H,29,34)(H2,28,31,32).
What are the key properties of 4-[[5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]amino]-N-(3-methylphenyl)piperidine-1-carboxamide?
4-[[5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]amino]-N-(3-methylphenyl)piperidine-1-carboxamide has a molecular weight of 486.58 g/mol, XLogP of 5.06, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]amino]-N-(3-methylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 143372736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).