(2R)-N-ethyl-2-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanamide

C23H26N4O — CID 95194367

IUPAC(2R)-N-ethyl-2-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanamide
SMILESCCNC(=O)[C@@H](C)N1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1
InChIInChI=1S/C23H26N4O/c1-3-24-23(28)16(2)27-14-13-21-20(15-27)22(26-25-21)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,16H,3,13-15H2,1-2H3,(H,24,28)(H,25,26)/t16-/m1/s1
InChIKeyCDJVILOXXSABES-MRXNPFEDSA-N
MW374.49 g/mol
LogP3.63
Rot. Bonds5

About (2R)-N-ethyl-2-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanamide

(2R)-N-ethyl-2-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanamide (PubChem CID 95194367) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is (2R)-N-ethyl-2-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-ethyl-2-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanamide
PubChem CID95194367
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name(2R)-N-ethyl-2-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanamide
SMILESCCNC(=O)[C@@H](C)N1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1
InChIInChI=1S/C23H26N4O/c1-3-24-23(28)16(2)27-14-13-21-20(15-27)22(26-25-21)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,16H,3,13-15H2,1-2H3,(H,24,28)(H,25,26)/t16-/m1/s1
InChIKeyCDJVILOXXSABES-MRXNPFEDSA-N
XLogP3.63
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]acetamide
CID 56745125
N-[2-oxo-2-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)ethyl]acetamide
CID 146045829
(2S)-2-amino-3,3-dimethyl-1-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 56747347
[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
CID 56739225
2-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-N-cyclopropylpropanamide
CID 56745583
N,3-diphenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121435107
(2R)-N-methyl-2-[3-(4-phenylphenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]propanamide
CID 95394249
4-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)benzoic acid
CID 110540115
(1-ethyl-3-propan-2-ylpyrazol-5-yl)-(3-phenyl-4,5,7,8-tetrahydro-1H-pyrazolo[4,5-d]azepin-6-yl)methanone
CID 146039006
2-(4-methylphenoxy)-1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
CID 121442780
N-(4-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442894
3-phenyl-N-(1,2-thiazol-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442719

Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-2-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanamide?
The IUPAC name of (2R)-N-ethyl-2-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanamide (CID 95194367) is (2R)-N-ethyl-2-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanamide.
What is the SMILES notation for (2R)-N-ethyl-2-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanamide?
The canonical SMILES for (2R)-N-ethyl-2-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanamide is CCNC(=O)[C@@H](C)N1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1.
What is the InChIKey of (2R)-N-ethyl-2-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanamide?
The InChIKey is CDJVILOXXSABES-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H26N4O/c1-3-24-23(28)16(2)27-14-13-21-20(15-27)22(26-25-21)19-11-9-18(10-12-19)17-7-5-4-6-8-17/h4-12,16H,3,13-15H2,1-2H3,(H,24,28)(H,25,26)/t16-/m1/s1.
What are the key properties of (2R)-N-ethyl-2-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanamide?
(2R)-N-ethyl-2-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanamide has a molecular weight of 374.49 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-2-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]propanamide is sourced from PubChem (CID 95194367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).