2-chloro-1-(1-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-2-phenylethanone

C18H17ClN4O — CID 90909155

IUPAC2-chloro-1-(1-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-2-phenylethanone
SMILESCc1[nH]nc2ncc3c(c12)CCN(C(=O)C(Cl)c1ccccc1)C3
InChIInChI=1S/C18H17ClN4O/c1-11-15-14-7-8-23(10-13(14)9-20-17(15)22-21-11)18(24)16(19)12-5-3-2-4-6-12/h2-6,9,16H,7-8,10H2,1H3,(H,20,21,22)
InChIKeyRDTCMUBOTWKUHL-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.13
Rot. Bonds2

About 2-chloro-1-(1-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-2-phenylethanone

2-chloro-1-(1-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-2-phenylethanone (PubChem CID 90909155) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 2-chloro-1-(1-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-2-phenylethanone.

Molecular Properties

Compound Name2-chloro-1-(1-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-2-phenylethanone
PubChem CID90909155
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name2-chloro-1-(1-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-2-phenylethanone
SMILESCc1[nH]nc2ncc3c(c12)CCN(C(=O)C(Cl)c1ccccc1)C3
InChIInChI=1S/C18H17ClN4O/c1-11-15-14-7-8-23(10-13(14)9-20-17(15)22-21-11)18(24)16(19)12-5-3-2-4-6-12/h2-6,9,16H,7-8,10H2,1H3,(H,20,21,22)
InChIKeyRDTCMUBOTWKUHL-UHFFFAOYSA-N
XLogP3.13
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-chloro-1-(1-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-2-phenylethanone 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

1-(1-bromo-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-2-chloro-2-phenylethanone
CID 59490349
N,N,1-trimethyl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
CID 91154935
1-(1-pentan-2-yl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-2-phenyl-2-piperazin-1-ylethanone
CID 91186564
(2S)-2-amino-2-phenyl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone
CID 46836698
2-phenyl-2-piperazin-1-yl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)ethanone
CID 59490810
5-hydroxy-2-phenyl-1-(3,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)pentan-1-one
CID 91366579
N-phenyl-1-(1,2,3,6-tetrahydropyridin-4-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
CID 46836776
6-[(2S)-2-chloro-2-phenylacetyl]-2-[(4-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135816460
N-phenyl-1-(1,2,3,6-tetrahydropyridin-1-ium-4-yl)-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridine-7-carboxamide
CID 59490834
(2R)-2-amino-1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one
CID 56759223
2-[(2R)-2-phenylpropanoyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 138036523
2-chloro-2-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 3509836

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(1-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-2-phenylethanone?
The IUPAC name of 2-chloro-1-(1-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-2-phenylethanone (CID 90909155) is 2-chloro-1-(1-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-2-phenylethanone.
What is the SMILES notation for 2-chloro-1-(1-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-2-phenylethanone?
The canonical SMILES for 2-chloro-1-(1-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-2-phenylethanone is Cc1[nH]nc2ncc3c(c12)CCN(C(=O)C(Cl)c1ccccc1)C3.
What is the InChIKey of 2-chloro-1-(1-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-2-phenylethanone?
The InChIKey is RDTCMUBOTWKUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-11-15-14-7-8-23(10-13(14)9-20-17(15)22-21-11)18(24)16(19)12-5-3-2-4-6-12/h2-6,9,16H,7-8,10H2,1H3,(H,20,21,22).
What are the key properties of 2-chloro-1-(1-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-2-phenylethanone?
2-chloro-1-(1-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-2-phenylethanone has a molecular weight of 340.81 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(1-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f][2,7]naphthyridin-7-yl)-2-phenylethanone is sourced from PubChem (CID 90909155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).