4-amino-1-(4-chlorophenyl)-3-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-7-methyl-1,8-naphthyridin-2-one

C26H25ClN6O — CID 175617096

IUPAC4-amino-1-(4-chlorophenyl)-3-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-7-methyl-1,8-naphthyridin-2-one
SMILESCc1ccc2c(N)c(-c3ccc4c(cnn4CCN(C)C)c3)c(=O)n(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C26H25ClN6O/c1-16-4-10-21-24(28)23(26(34)33(25(21)30-16)20-8-6-19(27)7-9-20)17-5-11-22-18(14-17)15-29-32(22)13-12-31(2)3/h4-11,14-15H,12-13,28H2,1-3H3
InChIKeyLBONBDHFKVUVSW-UHFFFAOYSA-N
MW472.98 g/mol
LogP4.51
Rot. Bonds5

About 4-amino-1-(4-chlorophenyl)-3-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-7-methyl-1,8-naphthyridin-2-one

4-amino-1-(4-chlorophenyl)-3-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-7-methyl-1,8-naphthyridin-2-one (PubChem CID 175617096) has the molecular formula C26H25ClN6O and a molecular weight of 472.98 g/mol. Its IUPAC name is 4-amino-1-(4-chlorophenyl)-3-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-7-methyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name4-amino-1-(4-chlorophenyl)-3-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-7-methyl-1,8-naphthyridin-2-one
PubChem CID175617096
Molecular FormulaC26H25ClN6O
Molecular Weight472.98 g/mol
Exact Mass472.18
IUPAC Name4-amino-1-(4-chlorophenyl)-3-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-7-methyl-1,8-naphthyridin-2-one
SMILESCc1ccc2c(N)c(-c3ccc4c(cnn4CCN(C)C)c3)c(=O)n(-c3ccc(Cl)cc3)c2n1
InChIInChI=1S/C26H25ClN6O/c1-16-4-10-21-24(28)23(26(34)33(25(21)30-16)20-8-6-19(27)7-9-20)17-5-11-22-18(14-17)15-29-32(22)13-12-31(2)3/h4-11,14-15H,12-13,28H2,1-3H3
InChIKeyLBONBDHFKVUVSW-UHFFFAOYSA-N
XLogP4.51
TPSA81.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.98
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-amino-1-(4-chlorophenyl)-7-methyl-2-oxo-1,8-naphthyridin-3-yl]benzonitrile
CID 175617063
4-amino-1-(4-chlorophenyl)-7-methyl-3-(1-methylpyrrol-2-yl)-1,8-naphthyridin-2-one
CID 175617040
4-amino-1-(4-chloro-2-fluorophenyl)-7-methyl-3-(1-methyl-6-oxo-3-pyridinyl)-1,8-naphthyridin-2-one
CID 175617101
3-(5-chloroindazol-1-yl)-N,N-dimethylpropan-1-amine
CID 141054546
4-amino-1-(4-chlorophenyl)-3-pyrazolo[1,5-a]pyridin-6-yl-7-(trifluoromethyl)-1,8-naphthyridin-2-one
CID 175617260
1-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-4-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 25206137
2-[2-(dimethylamino)ethyl]phthalazin-1-one;hydrochloride
CID 3057187
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(5-methylindazol-1-yl)propan-1-one
CID 95754598
N,N-dimethyl-2-(6-pyridin-4-ylindazol-1-yl)ethanamine
CID 18007557
1-[3-(dimethylamino)propyl]indazole-5-carboxamide
CID 22933619
ethane;2-indazol-1-yl-N,N-dimethylethanamine;propane
CID 145062231
1-(4-aminophenyl)-4-(dimethylamino)-7-methyl-2-oxo-1,8-naphthyridine-3-carbonitrile
CID 143649694

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-chlorophenyl)-3-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-7-methyl-1,8-naphthyridin-2-one?
The IUPAC name of 4-amino-1-(4-chlorophenyl)-3-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-7-methyl-1,8-naphthyridin-2-one (CID 175617096) is 4-amino-1-(4-chlorophenyl)-3-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-7-methyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 4-amino-1-(4-chlorophenyl)-3-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-7-methyl-1,8-naphthyridin-2-one?
The canonical SMILES for 4-amino-1-(4-chlorophenyl)-3-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-7-methyl-1,8-naphthyridin-2-one is Cc1ccc2c(N)c(-c3ccc4c(cnn4CCN(C)C)c3)c(=O)n(-c3ccc(Cl)cc3)c2n1.
What is the InChIKey of 4-amino-1-(4-chlorophenyl)-3-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-7-methyl-1,8-naphthyridin-2-one?
The InChIKey is LBONBDHFKVUVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN6O/c1-16-4-10-21-24(28)23(26(34)33(25(21)30-16)20-8-6-19(27)7-9-20)17-5-11-22-18(14-17)15-29-32(22)13-12-31(2)3/h4-11,14-15H,12-13,28H2,1-3H3.
What are the key properties of 4-amino-1-(4-chlorophenyl)-3-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-7-methyl-1,8-naphthyridin-2-one?
4-amino-1-(4-chlorophenyl)-3-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-7-methyl-1,8-naphthyridin-2-one has a molecular weight of 472.98 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-chlorophenyl)-3-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-7-methyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 175617096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).