[1-benzyl-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone

C22H28N4O2 — CID 26226175

IUPAC[1-benzyl-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1nn(Cc2ccccc2)c2c1CN(CC1CC1)CC2)N1CCOCC1
InChIInChI=1S/C22H28N4O2/c27-22(25-10-12-28-13-11-25)21-19-16-24(14-18-6-7-18)9-8-20(19)26(23-21)15-17-4-2-1-3-5-17/h1-5,18H,6-16H2
InChIKeyQNHGYUBZMQMYNI-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.17
Rot. Bonds5

About [1-benzyl-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone

[1-benzyl-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone (PubChem CID 26226175) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is [1-benzyl-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-benzyl-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone
PubChem CID26226175
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name[1-benzyl-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone
SMILESO=C(c1nn(Cc2ccccc2)c2c1CN(CC1CC1)CC2)N1CCOCC1
InChIInChI=1S/C22H28N4O2/c27-22(25-10-12-28-13-11-25)21-19-16-24(14-18-6-7-18)9-8-20(19)26(23-21)15-17-4-2-1-3-5-17/h1-5,18H,6-16H2
InChIKeyQNHGYUBZMQMYNI-UHFFFAOYSA-N
XLogP2.17
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-benzyl-5-[(4-hydroxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone
CID 26234223
[1-benzyl-5-[(3-methylquinoxalin-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone
CID 26140975
ethyl 1-benzyl-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26137849
morpholin-4-yl-[1-(2-phenylethyl)-5-(quinolin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone
CID 26139970
morpholin-4-yl-[5-(oxan-4-yl)-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone
CID 26213976
morpholin-4-yl-[1-(pyridin-2-ylmethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone
CID 26147078
morpholin-4-yl-[1-(pyridin-2-ylmethyl)-5-[[3-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone
CID 26135160
1-[1-benzyl-3-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-imidazo[2,1-b][1,3]thiazol-6-ylethanone
CID 26221338
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
[3-(morpholine-4-carbonyl)-1-(2-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-2-ylmethanone
CID 26227260
N-benzyl-5-(cyclopropylmethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26223552
(4-hydroxypiperidin-1-yl)-[1-(2-phenylethyl)-5-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone
CID 26215389

Frequently Asked Questions

What is the IUPAC name of [1-benzyl-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-benzyl-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone (CID 26226175) is [1-benzyl-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-benzyl-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-benzyl-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone is O=C(c1nn(Cc2ccccc2)c2c1CN(CC1CC1)CC2)N1CCOCC1.
What is the InChIKey of [1-benzyl-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is QNHGYUBZMQMYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c27-22(25-10-12-28-13-11-25)21-19-16-24(14-18-6-7-18)9-8-20(19)26(23-21)15-17-4-2-1-3-5-17/h1-5,18H,6-16H2.
What are the key properties of [1-benzyl-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone?
[1-benzyl-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 380.49 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 26226175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).