N-[(3-methoxyphenyl)methyl]-4-[1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]benzamide

C29H29N5O3 — CID 130247763

IUPACN-[(3-methoxyphenyl)methyl]-4-[1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]benzamide
SMILESC=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(C(=O)NCc4cccc(OC)c4)cc3)c3cnccc32)C1
InChIInChI=1S/C29H29N5O3/c1-3-27(35)33-15-5-7-23(19-33)34-26-13-14-30-18-25(26)28(32-34)21-9-11-22(12-10-21)29(36)31-17-20-6-4-8-24(16-20)37-2/h3-4,6,8-14,16,18,23H,1,5,7,15,17,19H2,2H3,(H,31,36)/t23-/m1/s1
InChIKeyUQNIDVWIHRMXFQ-HSZRJFAPSA-N
MW495.58 g/mol
LogP4.39
Rot. Bonds7

About N-[(3-methoxyphenyl)methyl]-4-[1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]benzamide

N-[(3-methoxyphenyl)methyl]-4-[1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]benzamide (PubChem CID 130247763) has the molecular formula C29H29N5O3 and a molecular weight of 495.58 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-4-[1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]benzamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-4-[1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]benzamide
PubChem CID130247763
Molecular FormulaC29H29N5O3
Molecular Weight495.58 g/mol
Exact Mass495.23
IUPAC NameN-[(3-methoxyphenyl)methyl]-4-[1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]benzamide
SMILESC=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(C(=O)NCc4cccc(OC)c4)cc3)c3cnccc32)C1
InChIInChI=1S/C29H29N5O3/c1-3-27(35)33-15-5-7-23(19-33)34-26-13-14-30-18-25(26)28(32-34)21-9-11-22(12-10-21)29(36)31-17-20-6-4-8-24(16-20)37-2/h3-4,6,8-14,16,18,23H,1,5,7,15,17,19H2,2H3,(H,31,36)/t23-/m1/s1
InChIKeyUQNIDVWIHRMXFQ-HSZRJFAPSA-N
XLogP4.39
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[(3-methoxyphenyl)methyl]-4-[1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-4-[1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]benzamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-4-[1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]benzamide (CID 130247763) is N-[(3-methoxyphenyl)methyl]-4-[1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]benzamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-4-[1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]benzamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-4-[1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]benzamide is C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(C(=O)NCc4cccc(OC)c4)cc3)c3cnccc32)C1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-4-[1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]benzamide?
The InChIKey is UQNIDVWIHRMXFQ-HSZRJFAPSA-N. The full InChI is InChI=1S/C29H29N5O3/c1-3-27(35)33-15-5-7-23(19-33)34-26-13-14-30-18-25(26)28(32-34)21-9-11-22(12-10-21)29(36)31-17-20-6-4-8-24(16-20)37-2/h3-4,6,8-14,16,18,23H,1,5,7,15,17,19H2,2H3,(H,31,36)/t23-/m1/s1.
What are the key properties of N-[(3-methoxyphenyl)methyl]-4-[1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]benzamide?
N-[(3-methoxyphenyl)methyl]-4-[1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]benzamide has a molecular weight of 495.58 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-4-[1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]benzamide is sourced from PubChem (CID 130247763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).