2-methoxy-N-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)benzamide

C29H38N4O3 — CID 42871636

IUPAC2-methoxy-N-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)benzamide
SMILESCCCN1CCc2c(c(CN(CC(C)C)C(=O)c3ccccc3OC)nn2-c2ccccc2OC)C1
InChIInChI=1S/C29H38N4O3/c1-6-16-31-17-15-25-23(19-31)24(30-33(25)26-12-8-10-14-28(26)36-5)20-32(18-21(2)3)29(34)22-11-7-9-13-27(22)35-4/h7-14,21H,6,15-20H2,1-5H3
InChIKeyOKSCLLYZHLOCNX-UHFFFAOYSA-N
MW490.65 g/mol
LogP4.96
Rot. Bonds10

About 2-methoxy-N-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)benzamide

2-methoxy-N-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)benzamide (PubChem CID 42871636) has the molecular formula C29H38N4O3 and a molecular weight of 490.65 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-methoxy-N-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)benzamide
PubChem CID42871636
Molecular FormulaC29H38N4O3
Molecular Weight490.65 g/mol
Exact Mass490.29
IUPAC Name2-methoxy-N-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)benzamide
SMILESCCCN1CCc2c(c(CN(CC(C)C)C(=O)c3ccccc3OC)nn2-c2ccccc2OC)C1
InChIInChI=1S/C29H38N4O3/c1-6-16-31-17-15-25-23(19-31)24(30-33(25)26-12-8-10-14-28(26)36-5)20-32(18-21(2)3)29(34)22-11-7-9-13-27(22)35-4/h7-14,21H,6,15-20H2,1-5H3
InChIKeyOKSCLLYZHLOCNX-UHFFFAOYSA-N
XLogP4.96
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.65
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)thiophene-2-carboxamide
CID 42871635
(2S)-N-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)-2-phenylbutanamide
CID 93002198
N-[[5-benzyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 42872664
3-chloro-N-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)benzamide
CID 42871624
N-[[1-(2-methoxyphenyl)-5-prop-2-enyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 42871576
N-cyclopropyl-N-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]acetamide
CID 42872622
3-benzyl-1-cyclopropyl-1-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]urea
CID 42806490
N-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)benzenesulfonamide
CID 42871828
N-(cyclopropylmethyl)-N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-2-methoxybenzamide
CID 46074300
1-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl-methylamino]-3-methylbutan-2-ol
CID 42806508
N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-4-methoxy-N-(2-methylpropyl)benzamide
CID 46074332
N-(cyclopropylmethyl)-4-fluoro-N-[[1-(2-fluorophenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]benzamide
CID 42871559

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-methoxy-N-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)benzamide (CID 42871636) is 2-methoxy-N-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-methoxy-N-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-methoxy-N-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)benzamide is CCCN1CCc2c(c(CN(CC(C)C)C(=O)c3ccccc3OC)nn2-c2ccccc2OC)C1.
What is the InChIKey of 2-methoxy-N-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)benzamide?
The InChIKey is OKSCLLYZHLOCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O3/c1-6-16-31-17-15-25-23(19-31)24(30-33(25)26-12-8-10-14-28(26)36-5)20-32(18-21(2)3)29(34)22-11-7-9-13-27(22)35-4/h7-14,21H,6,15-20H2,1-5H3.
What are the key properties of 2-methoxy-N-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)benzamide?
2-methoxy-N-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)benzamide has a molecular weight of 490.65 g/mol, XLogP of 4.96, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 42871636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).