N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

C27H35N5O4 — CID 55639554

IUPACN-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cc(NC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)c(C(=O)N2CCCCC2)cc1OC
InChIInChI=1S/C27H35N5O4/c1-16(2)21-12-18(20-15-28-32(17(3)4)25(20)29-21)26(33)30-22-14-24(36-6)23(35-5)13-19(22)27(34)31-10-8-7-9-11-31/h12-17H,7-11H2,1-6H3,(H,30,33)
InChIKeyVCIKIEDHDOWWDE-UHFFFAOYSA-N
MW493.61 g/mol
LogP5.03
Rot. Bonds7

About N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55639554) has the molecular formula C27H35N5O4 and a molecular weight of 493.61 g/mol. Its IUPAC name is N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55639554
Molecular FormulaC27H35N5O4
Molecular Weight493.61 g/mol
Exact Mass493.27
IUPAC NameN-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1cc(NC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)c(C(=O)N2CCCCC2)cc1OC
InChIInChI=1S/C27H35N5O4/c1-16(2)21-12-18(20-15-28-32(17(3)4)25(20)29-21)26(33)30-22-14-24(36-6)23(35-5)13-19(22)27(34)31-10-8-7-9-11-31/h12-17H,7-11H2,1-6H3,(H,30,33)
InChIKeyVCIKIEDHDOWWDE-UHFFFAOYSA-N
XLogP5.03
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.61
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 55639554) is N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is COc1cc(NC(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)c(C(=O)N2CCCCC2)cc1OC.
What is the InChIKey of N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is VCIKIEDHDOWWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O4/c1-16(2)21-12-18(20-15-28-32(17(3)4)25(20)29-21)26(33)30-22-14-24(36-6)23(35-5)13-19(22)27(34)31-10-8-7-9-11-31/h12-17H,7-11H2,1-6H3,(H,30,33).
What are the key properties of N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 493.61 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55639554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).