[(2S)-1-methylazepan-2-yl]-[3-(morpholine-4-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone

C28H39N5O3 — CID 26133918

IUPAC[(2S)-1-methylazepan-2-yl]-[3-(morpholine-4-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCN1CCCCC[C@H]1C(=O)N1CCc2c(c(C(=O)N3CCOCC3)nn2CCCc2ccccc2)C1
InChIInChI=1S/C28H39N5O3/c1-30-14-7-3-6-12-25(30)27(34)32-16-13-24-23(21-32)26(28(35)31-17-19-36-20-18-31)29-33(24)15-8-11-22-9-4-2-5-10-22/h2,4-5,9-10,25H,3,6-8,11-21H2,1H3/t25-/m0/s1
InChIKeyDJWZLOYBWOVAHH-VWLOTQADSA-N
MW493.65 g/mol
LogP2.75
Rot. Bonds6

About [(2S)-1-methylazepan-2-yl]-[3-(morpholine-4-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone

[(2S)-1-methylazepan-2-yl]-[3-(morpholine-4-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone (PubChem CID 26133918) has the molecular formula C28H39N5O3 and a molecular weight of 493.65 g/mol. Its IUPAC name is [(2S)-1-methylazepan-2-yl]-[3-(morpholine-4-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[(2S)-1-methylazepan-2-yl]-[3-(morpholine-4-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
PubChem CID26133918
Molecular FormulaC28H39N5O3
Molecular Weight493.65 g/mol
Exact Mass493.31
IUPAC Name[(2S)-1-methylazepan-2-yl]-[3-(morpholine-4-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
SMILESCN1CCCCC[C@H]1C(=O)N1CCc2c(c(C(=O)N3CCOCC3)nn2CCCc2ccccc2)C1
InChIInChI=1S/C28H39N5O3/c1-30-14-7-3-6-12-25(30)27(34)32-16-13-24-23(21-32)26(28(35)31-17-19-36-20-18-31)29-33(24)15-8-11-22-9-4-2-5-10-22/h2,4-5,9-10,25H,3,6-8,11-21H2,1H3/t25-/m0/s1
InChIKeyDJWZLOYBWOVAHH-VWLOTQADSA-N
XLogP2.75
TPSA70.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.65
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2S)-1-methylazepan-2-yl]-[3-(morpholine-4-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone with MolForge

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Related Compounds

morpholin-4-yl-[5-(oxan-4-yl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone
CID 26213976
(2-methylpyrazol-3-yl)-[3-(morpholine-4-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 26222128
(2R)-1-[3-(morpholine-4-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-morpholin-4-ylpropan-1-one
CID 26138972
5-[(3S)-oxolane-3-carbonyl]-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 95190815
2,2-dimethyl-1-[3-(morpholine-4-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 26137509
4-[3-(morpholine-4-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 45160636
2-cyclohexyl-1-[3-(4-hydroxypiperidine-1-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 26232763
[3-(morpholine-4-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone
CID 26227260
3-cyclopentyl-1-[3-(4-hydroxypiperidine-1-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 26225945
(4-hydroxypiperidin-1-yl)-[1-(2-phenylethyl)-5-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone
CID 26215389
(3,5-dimethyl-1H-pyrrol-2-yl)-[3-(4-hydroxypiperidine-1-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 26221640
5-(2-methyl-1H-imidazole-5-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 56702476

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-methylazepan-2-yl]-[3-(morpholine-4-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The IUPAC name of [(2S)-1-methylazepan-2-yl]-[3-(morpholine-4-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone (CID 26133918) is [(2S)-1-methylazepan-2-yl]-[3-(morpholine-4-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone.
What is the SMILES notation for [(2S)-1-methylazepan-2-yl]-[3-(morpholine-4-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The canonical SMILES for [(2S)-1-methylazepan-2-yl]-[3-(morpholine-4-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone is CN1CCCCC[C@H]1C(=O)N1CCc2c(c(C(=O)N3CCOCC3)nn2CCCc2ccccc2)C1.
What is the InChIKey of [(2S)-1-methylazepan-2-yl]-[3-(morpholine-4-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
The InChIKey is DJWZLOYBWOVAHH-VWLOTQADSA-N. The full InChI is InChI=1S/C28H39N5O3/c1-30-14-7-3-6-12-25(30)27(34)32-16-13-24-23(21-32)26(28(35)31-17-19-36-20-18-31)29-33(24)15-8-11-22-9-4-2-5-10-22/h2,4-5,9-10,25H,3,6-8,11-21H2,1H3/t25-/m0/s1.
What are the key properties of [(2S)-1-methylazepan-2-yl]-[3-(morpholine-4-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone?
[(2S)-1-methylazepan-2-yl]-[3-(morpholine-4-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone has a molecular weight of 493.65 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-methylazepan-2-yl]-[3-(morpholine-4-carbonyl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone is sourced from PubChem (CID 26133918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).