7-chloro-5-imidazo[1,2-a]pyridin-7-yl-2-methylpyrazolo[3,4-c][1,8]naphthyridin-4-one

C17H11ClN6O — CID 172525525

IUPAC7-chloro-5-imidazo[1,2-a]pyridin-7-yl-2-methylpyrazolo[3,4-c][1,8]naphthyridin-4-one
SMILESCn1cc2c(n1)c(=O)n(-c1ccn3ccnc3c1)c1nc(Cl)ccc21
InChIInChI=1S/C17H11ClN6O/c1-22-9-12-11-2-3-13(18)20-16(11)24(17(25)15(12)21-22)10-4-6-23-7-5-19-14(23)8-10/h2-9H,1H3
InChIKeyUGBGCBSIXWQXLM-UHFFFAOYSA-N
MW350.77 g/mol
LogP2.57
Rot. Bonds1

About 7-chloro-5-imidazo[1,2-a]pyridin-7-yl-2-methylpyrazolo[3,4-c][1,8]naphthyridin-4-one

7-chloro-5-imidazo[1,2-a]pyridin-7-yl-2-methylpyrazolo[3,4-c][1,8]naphthyridin-4-one (PubChem CID 172525525) has the molecular formula C17H11ClN6O and a molecular weight of 350.77 g/mol. Its IUPAC name is 7-chloro-5-imidazo[1,2-a]pyridin-7-yl-2-methylpyrazolo[3,4-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name7-chloro-5-imidazo[1,2-a]pyridin-7-yl-2-methylpyrazolo[3,4-c][1,8]naphthyridin-4-one
PubChem CID172525525
Molecular FormulaC17H11ClN6O
Molecular Weight350.77 g/mol
Exact Mass350.07
IUPAC Name7-chloro-5-imidazo[1,2-a]pyridin-7-yl-2-methylpyrazolo[3,4-c][1,8]naphthyridin-4-one
SMILESCn1cc2c(n1)c(=O)n(-c1ccn3ccnc3c1)c1nc(Cl)ccc21
InChIInChI=1S/C17H11ClN6O/c1-22-9-12-11-2-3-13(18)20-16(11)24(17(25)15(12)21-22)10-4-6-23-7-5-19-14(23)8-10/h2-9H,1H3
InChIKeyUGBGCBSIXWQXLM-UHFFFAOYSA-N
XLogP2.57
TPSA70.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.77
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[2-methyl-4-oxo-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-5-yl]benzoic acid
CID 172525517
5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
CID 172525423
8-fluoro-2-methyl-5-pyrazolo[1,5-a]pyridin-4-yl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
CID 172525346
7-cyclopropyl-8-fluoro-2-methyl-5-(2-methyl-3-pyridinyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
CID 172525248
5-(4-methoxyphenyl)-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c]quinolin-4-one
CID 172525360
7-chloro-2-methyl-5-[(1R)-1-(1H-pyrazol-5-yl)ethyl]pyrazolo[3,4-c]quinolin-4-one
CID 172525507
2-methyl-5-(1H-pyrazol-5-ylmethyl)-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
CID 172525402
7-chloro-5-(2-cyclopropyl-3-pyridinyl)-2-methyl-4-oxopyrazolo[3,4-c]quinoline-8-carbonitrile
CID 172525129
ethane;imidazo[1,2-a]pyridine-7-carbaldehyde
CID 156651569
7-chloro-5-(2-hydroxycyclopentyl)-2-methylpyrazolo[3,4-c]quinolin-4-one
CID 172525187
5-(1,3-benzothiazol-7-yl)-8-fluoro-2-methyl-7-(trifluoromethyl)pyrazolo[3,4-c][1,8]naphthyridin-4-one
CID 172525348
imidazo[1,2-a]azepin-7-one
CID 12692689

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-imidazo[1,2-a]pyridin-7-yl-2-methylpyrazolo[3,4-c][1,8]naphthyridin-4-one?
The IUPAC name of 7-chloro-5-imidazo[1,2-a]pyridin-7-yl-2-methylpyrazolo[3,4-c][1,8]naphthyridin-4-one (CID 172525525) is 7-chloro-5-imidazo[1,2-a]pyridin-7-yl-2-methylpyrazolo[3,4-c][1,8]naphthyridin-4-one.
What is the SMILES notation for 7-chloro-5-imidazo[1,2-a]pyridin-7-yl-2-methylpyrazolo[3,4-c][1,8]naphthyridin-4-one?
The canonical SMILES for 7-chloro-5-imidazo[1,2-a]pyridin-7-yl-2-methylpyrazolo[3,4-c][1,8]naphthyridin-4-one is Cn1cc2c(n1)c(=O)n(-c1ccn3ccnc3c1)c1nc(Cl)ccc21.
What is the InChIKey of 7-chloro-5-imidazo[1,2-a]pyridin-7-yl-2-methylpyrazolo[3,4-c][1,8]naphthyridin-4-one?
The InChIKey is UGBGCBSIXWQXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN6O/c1-22-9-12-11-2-3-13(18)20-16(11)24(17(25)15(12)21-22)10-4-6-23-7-5-19-14(23)8-10/h2-9H,1H3.
What are the key properties of 7-chloro-5-imidazo[1,2-a]pyridin-7-yl-2-methylpyrazolo[3,4-c][1,8]naphthyridin-4-one?
7-chloro-5-imidazo[1,2-a]pyridin-7-yl-2-methylpyrazolo[3,4-c][1,8]naphthyridin-4-one has a molecular weight of 350.77 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-imidazo[1,2-a]pyridin-7-yl-2-methylpyrazolo[3,4-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 172525525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).