1-(2-hydroxyethyl)-N-(1-phenylethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C23H27N5O2 — CID 45163222

IUPAC1-(2-hydroxyethyl)-N-(1-phenylethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCC(NC(=O)c1nn(CCO)c2c1CN(Cc1ccncc1)CC2)c1ccccc1
InChIInChI=1S/C23H27N5O2/c1-17(19-5-3-2-4-6-19)25-23(30)22-20-16-27(15-18-7-10-24-11-8-18)12-9-21(20)28(26-22)13-14-29/h2-8,10-11,17,29H,9,12-16H2,1H3,(H,25,30)
InChIKeyNPZICVSRBAKBLI-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.32
Rot. Bonds7

About 1-(2-hydroxyethyl)-N-(1-phenylethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

1-(2-hydroxyethyl)-N-(1-phenylethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 45163222) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-N-(1-phenylethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-N-(1-phenylethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID45163222
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name1-(2-hydroxyethyl)-N-(1-phenylethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCC(NC(=O)c1nn(CCO)c2c1CN(Cc1ccncc1)CC2)c1ccccc1
InChIInChI=1S/C23H27N5O2/c1-17(19-5-3-2-4-6-19)25-23(30)22-20-16-27(15-18-7-10-24-11-8-18)12-9-21(20)28(26-22)13-14-29/h2-8,10-11,17,29H,9,12-16H2,1H3,(H,25,30)
InChIKeyNPZICVSRBAKBLI-UHFFFAOYSA-N
XLogP2.32
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-hydroxyethyl)-5-[(5-methylfuran-2-yl)methyl]-N-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 45164988
5-(1-benzofuran-6-ylmethyl)-1-(2-hydroxyethyl)-N-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 118933243
1-(2-hydroxyethyl)-N-(1-phenylethyl)-5-(7H-pyrrolo[1,2-c]imidazol-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 130375370
1-(2-hydroxyethyl)-N-(1-phenylethyl)-5-(1-propan-2-ylpiperidin-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 45162767
N-benzyl-5-[(3,5-dimethylphenyl)methyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26143204
N-benzyl-1-(2-hydroxyethyl)-5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26225988
1-benzyl-N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 143116638
N,N-dimethyl-1-propyl-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 146641223
N-benzyl-1-(2-hydroxyethyl)-5-(3-methylbut-2-enyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26140157
1-(2-hydroxyethyl)-5-[(4-methylphenyl)methyl]-N-(naphthalen-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 118933278
N-benzyl-5-[(2-chloro-3,4-dimethoxyphenyl)methyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26135350
N-benzyl-5-[(2,4-dimethoxy-3-methylphenyl)methyl]-1-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 26140349

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-N-(1-phenylethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 1-(2-hydroxyethyl)-N-(1-phenylethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 45163222) is 1-(2-hydroxyethyl)-N-(1-phenylethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 1-(2-hydroxyethyl)-N-(1-phenylethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 1-(2-hydroxyethyl)-N-(1-phenylethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is CC(NC(=O)c1nn(CCO)c2c1CN(Cc1ccncc1)CC2)c1ccccc1.
What is the InChIKey of 1-(2-hydroxyethyl)-N-(1-phenylethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is NPZICVSRBAKBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-17(19-5-3-2-4-6-19)25-23(30)22-20-16-27(15-18-7-10-24-11-8-18)12-9-21(20)28(26-22)13-14-29/h2-8,10-11,17,29H,9,12-16H2,1H3,(H,25,30).
What are the key properties of 1-(2-hydroxyethyl)-N-(1-phenylethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?
1-(2-hydroxyethyl)-N-(1-phenylethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-N-(1-phenylethyl)-5-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 45163222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).