(2S)-N-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)-2-phenylbutanamide

C30H40N4O2 — CID 93002198

IUPAC(2S)-N-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)-2-phenylbutanamide
SMILESCC[C@H](C(=O)N(Cc1nn(-c2ccccc2OC)c2c1CN(CC)CC2)CC(C)C)c1ccccc1
InChIInChI=1S/C30H40N4O2/c1-6-24(23-13-9-8-10-14-23)30(35)33(19-22(3)4)21-26-25-20-32(7-2)18-17-27(25)34(31-26)28-15-11-12-16-29(28)36-5/h8-16,22,24H,6-7,17-21H2,1-5H3/t24-/m0/s1
InChIKeyDXYAWFKYTDLVSJ-DEOSSOPVSA-N
MW488.68 g/mol
LogP5.44
Rot. Bonds10

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

(2S)-N-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)-2-phenylbutanamide (PubChem CID 93002198) has the molecular formula C30H40N4O2 and a molecular weight of 488.68 g/mol. Its IUPAC name is (2S)-N-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)-2-phenylbutanamide.

Molecular Properties

Compound Name(2S)-N-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)-2-phenylbutanamide
PubChem CID93002198
Molecular FormulaC30H40N4O2
Molecular Weight488.68 g/mol
Exact Mass488.32
IUPAC Name(2S)-N-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)-2-phenylbutanamide
SMILESCC[C@H](C(=O)N(Cc1nn(-c2ccccc2OC)c2c1CN(CC)CC2)CC(C)C)c1ccccc1
InChIInChI=1S/C30H40N4O2/c1-6-24(23-13-9-8-10-14-23)30(35)33(19-22(3)4)21-26-25-20-32(7-2)18-17-27(25)34(31-26)28-15-11-12-16-29(28)36-5/h8-16,22,24H,6-7,17-21H2,1-5H3/t24-/m0/s1
InChIKeyDXYAWFKYTDLVSJ-DEOSSOPVSA-N
XLogP5.44
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.68
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)-2-phenylbutanamide with MolForge

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Related Compounds

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
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
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-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)benzenesulfonamide
CID 42871828
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
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-[[5-ethyl-1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methoxyethyl)-2-phenylbutanamide
CID 42871681
N-[(5-ethyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)methyl]-N-(2-methylpropyl)cyclopropanecarboxamide
CID 46074337
N-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-methyl-4-(trifluoromethyl)benzamide
CID 42808654
N-cyclopropyl-N-[[1-(2-methoxyphenyl)-5-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]acetamide
CID 42872622

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)-2-phenylbutanamide?
The IUPAC name of (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) is (2S)-N-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)-2-phenylbutanamide.
What is the SMILES notation for (2S)-N-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)-2-phenylbutanamide?
The canonical SMILES for (2S)-N-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)-2-phenylbutanamide is CC[C@H](C(=O)N(Cc1nn(-c2ccccc2OC)c2c1CN(CC)CC2)CC(C)C)c1ccccc1.
What is the InChIKey of (2S)-N-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)-2-phenylbutanamide?
The InChIKey is DXYAWFKYTDLVSJ-DEOSSOPVSA-N. The full InChI is InChI=1S/C30H40N4O2/c1-6-24(23-13-9-8-10-14-23)30(35)33(19-22(3)4)21-26-25-20-32(7-2)18-17-27(25)34(31-26)28-15-11-12-16-29(28)36-5/h8-16,22,24H,6-7,17-21H2,1-5H3/t24-/m0/s1.
What are the key properties of (2S)-N-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)-2-phenylbutanamide?
(2S)-N-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)-2-phenylbutanamide has a molecular weight of 488.68 g/mol, XLogP of 5.44, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[5-ethyl-1-(2-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methyl]-N-(2-methylpropyl)-2-phenylbutanamide is sourced from PubChem (CID 93002198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).