(2-chloro-5-cyclopropyl-3-pyridinyl)-(3-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)methanone

C17H17ClN4O — CID 154778993

IUPAC(2-chloro-5-cyclopropyl-3-pyridinyl)-(3-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cc(C3CC3)cnc2Cl)c2cccnc2N1
InChIInChI=1S/C17H17ClN4O/c1-10-9-22(14-3-2-6-19-16(14)21-10)17(23)13-7-12(11-4-5-11)8-20-15(13)18/h2-3,6-8,10-11H,4-5,9H2,1H3,(H,19,21)
InChIKeyZXZKTKKCBFDEPV-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.47
Rot. Bonds2

About (2-chloro-5-cyclopropyl-3-pyridinyl)-(3-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)methanone

(2-chloro-5-cyclopropyl-3-pyridinyl)-(3-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)methanone (PubChem CID 154778993) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is (2-chloro-5-cyclopropyl-3-pyridinyl)-(3-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-5-cyclopropyl-3-pyridinyl)-(3-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)methanone
PubChem CID154778993
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name(2-chloro-5-cyclopropyl-3-pyridinyl)-(3-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cc(C3CC3)cnc2Cl)c2cccnc2N1
InChIInChI=1S/C17H17ClN4O/c1-10-9-22(14-3-2-6-19-16(14)21-10)17(23)13-7-12(11-4-5-11)8-20-15(13)18/h2-3,6-8,10-11H,4-5,9H2,1H3,(H,19,21)
InChIKeyZXZKTKKCBFDEPV-UHFFFAOYSA-N
XLogP3.47
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2-chloro-5-cyclopropyl-3-pyridinyl)-(3-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)methanone 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

2-chloro-5-cyclobutylpyridine-3-carboxylic acid
CID 105465551
(2-chloro-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61226414
(2-chloro-3-pyridinyl)-(3-methylpiperazin-1-yl)methanone
CID 71639387
1-[(3S)-3-propan-2-yl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl]ethanone
CID 82392897
(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)-pyridin-2-ylmethanone
CID 107388591
5-cyclopropyl-2-pyridin-2-ylpyridine-3-carboxylic acid
CID 83919432
(2-chlorofuran-3-yl)-(3-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone
CID 107388653
(2,5-dichloro-4-pyridinyl)-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 114918498
(2-chloro-3-pyridinyl)-(2-methylthiomorpholin-4-yl)methanone
CID 115611734
(2-chloro-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106668646
2-chloro-N-[4-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-3-methylphenyl]pyridine-3-carboxamide
CID 22100018
2-chloro-N-(2,6-dimethylpiperidin-1-yl)pyridine-3-carboxamide
CID 78907835

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-cyclopropyl-3-pyridinyl)-(3-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)methanone?
The IUPAC name of (2-chloro-5-cyclopropyl-3-pyridinyl)-(3-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)methanone (CID 154778993) is (2-chloro-5-cyclopropyl-3-pyridinyl)-(3-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)methanone.
What is the SMILES notation for (2-chloro-5-cyclopropyl-3-pyridinyl)-(3-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)methanone?
The canonical SMILES for (2-chloro-5-cyclopropyl-3-pyridinyl)-(3-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)methanone is CC1CN(C(=O)c2cc(C3CC3)cnc2Cl)c2cccnc2N1.
What is the InChIKey of (2-chloro-5-cyclopropyl-3-pyridinyl)-(3-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)methanone?
The InChIKey is ZXZKTKKCBFDEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c1-10-9-22(14-3-2-6-19-16(14)21-10)17(23)13-7-12(11-4-5-11)8-20-15(13)18/h2-3,6-8,10-11H,4-5,9H2,1H3,(H,19,21).
What are the key properties of (2-chloro-5-cyclopropyl-3-pyridinyl)-(3-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)methanone?
(2-chloro-5-cyclopropyl-3-pyridinyl)-(3-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)methanone has a molecular weight of 328.80 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-cyclopropyl-3-pyridinyl)-(3-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)methanone is sourced from PubChem (CID 154778993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).