N-[4-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3-oxopropyl]phenyl]prop-2-enamide

C19H22N4O2 — CID 167849410

IUPACN-[4-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3-oxopropyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(CCC(=O)N2CCc3nn(C)cc3C2)cc1
InChIInChI=1S/C19H22N4O2/c1-3-18(24)20-16-7-4-14(5-8-16)6-9-19(25)23-11-10-17-15(13-23)12-22(2)21-17/h3-5,7-8,12H,1,6,9-11,13H2,2H3,(H,20,24)
InChIKeyCOTIIZBVVAPHAK-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.06
Rot. Bonds5

About N-[4-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3-oxopropyl]phenyl]prop-2-enamide

N-[4-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3-oxopropyl]phenyl]prop-2-enamide (PubChem CID 167849410) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[4-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3-oxopropyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3-oxopropyl]phenyl]prop-2-enamide
PubChem CID167849410
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[4-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3-oxopropyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(CCC(=O)N2CCc3nn(C)cc3C2)cc1
InChIInChI=1S/C19H22N4O2/c1-3-18(24)20-16-7-4-14(5-8-16)6-9-19(25)23-11-10-17-15(13-23)12-22(2)21-17/h3-5,7-8,12H,1,6,9-11,13H2,2H3,(H,20,24)
InChIKeyCOTIIZBVVAPHAK-UHFFFAOYSA-N
XLogP2.06
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[4-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3-oxopropyl]phenyl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[3-oxo-3-(2-oxo-1,5,7,8-tetrahydro-1,6-naphthyridin-6-yl)propyl]phenyl]prop-2-enamide
CID 166422002
N,1-dimethyl-4-[3-[4-(prop-2-enoylamino)phenyl]propanoylamino]pyrazole-3-carboxamide
CID 166421920
N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]prop-2-enamide
CID 166406056
N-[4-[3-(2,2-diethyl-1,1-dioxo-1,4-thiazinan-4-yl)-3-oxopropyl]phenyl]prop-2-enamide
CID 166421909
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[4-(prop-2-enoylamino)phenyl]propanamide
CID 167861290
N-[4-[3-oxo-3-[2-(trifluoromethyl)morpholin-4-yl]propyl]phenyl]prop-2-enamide
CID 167945819
N-[4-[3-(4-fluoro-2,3-dihydroindol-1-yl)-3-oxopropyl]phenyl]prop-2-enamide
CID 166421996
N-[4-[3-(2-chlorospiro[4,5-dihydrothieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)-3-oxopropyl]phenyl]prop-2-enamide
CID 166422006
N-[4-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166421188
N-[4-(4-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)phenyl]prop-2-enamide
CID 166420494
N-(1-methyl-2,5-dioxopyrrolidin-3-yl)-3-[4-(prop-2-enoylamino)phenyl]propanamide
CID 166422115
N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]pentanamide
CID 110314338

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3-oxopropyl]phenyl]prop-2-enamide?
The IUPAC name of N-[4-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3-oxopropyl]phenyl]prop-2-enamide (CID 167849410) is N-[4-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3-oxopropyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3-oxopropyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3-oxopropyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(CCC(=O)N2CCc3nn(C)cc3C2)cc1.
What is the InChIKey of N-[4-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3-oxopropyl]phenyl]prop-2-enamide?
The InChIKey is COTIIZBVVAPHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-3-18(24)20-16-7-4-14(5-8-16)6-9-19(25)23-11-10-17-15(13-23)12-22(2)21-17/h3-5,7-8,12H,1,6,9-11,13H2,2H3,(H,20,24).
What are the key properties of N-[4-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3-oxopropyl]phenyl]prop-2-enamide?
N-[4-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3-oxopropyl]phenyl]prop-2-enamide has a molecular weight of 338.41 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-3-oxopropyl]phenyl]prop-2-enamide is sourced from PubChem (CID 167849410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).