(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)propanamide

C19H26N4O2 — CID 92898875

IUPAC(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)propanamide
SMILESCc1nn(C)c2c(=O)n([C@@H](C)C(=O)NCCC3=CCCCC3)ccc12
InChIInChI=1S/C19H26N4O2/c1-13-16-10-12-23(19(25)17(16)22(3)21-13)14(2)18(24)20-11-9-15-7-5-4-6-8-15/h7,10,12,14H,4-6,8-9,11H2,1-3H3,(H,20,24)/t14-/m0/s1
InChIKeyGHZDMUBVBYNSRN-AWEZNQCLSA-N
MW342.44 g/mol
LogP2.61
Rot. Bonds5

About (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)propanamide

(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)propanamide (PubChem CID 92898875) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)propanamide
PubChem CID92898875
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)propanamide
SMILESCc1nn(C)c2c(=O)n([C@@H](C)C(=O)NCCC3=CCCCC3)ccc12
InChIInChI=1S/C19H26N4O2/c1-13-16-10-12-23(19(25)17(16)22(3)21-13)14(2)18(24)20-11-9-15-7-5-4-6-8-15/h7,10,12,14H,4-6,8-9,11H2,1-3H3,(H,20,24)/t14-/m0/s1
InChIKeyGHZDMUBVBYNSRN-AWEZNQCLSA-N
XLogP2.61
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)propanamide
CID 46395134
N-[2-(cyclohexen-1-yl)ethyl]-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 17457035
2-chloro-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 3498774
(2S)-2-amino-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 22690442
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 32753435
N-[2-(cyclohexen-1-yl)ethyl]-6-methyl-1-(4-methylphenyl)-7-oxopyrazolo[4,5-d]pyrimidine-3-carboxamide
CID 53100604
N-[2-(cyclohexen-1-yl)ethyl]-2-(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)propanamide
CID 22553474
N-[2-(cyclohexen-1-yl)ethyl]-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]propanamide
CID 86773522
1-[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19622437
N-[2-(cyclohexen-1-yl)ethyl]-2-(1-methyl-7-oxopyrrolo[2,3-c]pyridin-6-yl)acetamide
CID 53164177
N-[2-(cyclohexen-1-yl)ethyl]-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 2138499
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 18076608

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)propanamide?
The IUPAC name of (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)propanamide (CID 92898875) is (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)propanamide.
What is the SMILES notation for (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)propanamide?
The canonical SMILES for (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)propanamide is Cc1nn(C)c2c(=O)n([C@@H](C)C(=O)NCCC3=CCCCC3)ccc12.
What is the InChIKey of (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)propanamide?
The InChIKey is GHZDMUBVBYNSRN-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-13-16-10-12-23(19(25)17(16)22(3)21-13)14(2)18(24)20-11-9-15-7-5-4-6-8-15/h7,10,12,14H,4-6,8-9,11H2,1-3H3,(H,20,24)/t14-/m0/s1.
What are the key properties of (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)propanamide?
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)propanamide has a molecular weight of 342.44 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-(1,3-dimethyl-7-oxopyrazolo[5,4-c]pyridin-6-yl)propanamide is sourced from PubChem (CID 92898875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).