6-(7-chloro-1H-indazol-5-yl)-5-methyl-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carbonitrile

C23H14ClN5O — CID 137438594

IUPAC6-(7-chloro-1H-indazol-5-yl)-5-methyl-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carbonitrile
SMILESCc1c(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc2[nH]c(=O)c(C#N)cc12
InChIInChI=1S/C23H14ClN5O/c1-12-17-8-15(10-25)23(30)28-22(17)27-21(13-5-3-2-4-6-13)19(12)14-7-16-11-26-29-20(16)18(24)9-14/h2-9,11H,1H3,(H,26,29)(H,27,28,30)
InChIKeyDSPDJKWBMUYURY-UHFFFAOYSA-N
MW411.85 g/mol
LogP4.97
Rot. Bonds2

About 6-(7-chloro-1H-indazol-5-yl)-5-methyl-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carbonitrile

6-(7-chloro-1H-indazol-5-yl)-5-methyl-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carbonitrile (PubChem CID 137438594) has the molecular formula C23H14ClN5O and a molecular weight of 411.85 g/mol. Its IUPAC name is 6-(7-chloro-1H-indazol-5-yl)-5-methyl-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(7-chloro-1H-indazol-5-yl)-5-methyl-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carbonitrile
PubChem CID137438594
Molecular FormulaC23H14ClN5O
Molecular Weight411.85 g/mol
Exact Mass411.09
IUPAC Name6-(7-chloro-1H-indazol-5-yl)-5-methyl-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carbonitrile
SMILESCc1c(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc2[nH]c(=O)c(C#N)cc12
InChIInChI=1S/C23H14ClN5O/c1-12-17-8-15(10-25)23(30)28-22(17)27-21(13-5-3-2-4-6-13)19(12)14-7-16-11-26-29-20(16)18(24)9-14/h2-9,11H,1H3,(H,26,29)(H,27,28,30)
InChIKeyDSPDJKWBMUYURY-UHFFFAOYSA-N
XLogP4.97
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.85
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-6-(7-chloro-1H-indazol-5-yl)-5-methyl-7-phenyl-1H-1,8-naphthyridin-2-one;3-chloro-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;4-chloro-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;5-chloro-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one;3-(7-chloro-1H-indazol-5-yl)-6-methyl-7-oxo-2-phenyl-8H-1,8-naphthyridine-4-carbonitrile;6-(7-chloro-1H-indazol-5-yl)-5-methyl-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carbonitrile
CID 158256734
6-(7-chloro-1H-indazol-5-yl)-3-methyl-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137438636
4-chloro-6-(7-chloro-1H-indazol-5-yl)-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137438644
2-(7-chloro-1H-indazol-5-yl)-7-[(4-methylphenyl)methyl]-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656678
6-(7-chloro-1H-indazol-5-yl)-4-ethyl-7-phenyl-1H-1,8-naphthyridin-2-one
CID 137438412
6-(7-chloro-1H-indazol-5-yl)-3-(ethylamino)-5-phenyl-1H-pyrazin-2-one
CID 137430502
3-amino-6-(7-chloro-1H-indazol-5-yl)-5-phenyl-1H-pyrazin-2-one
CID 137430965
1-[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]-3-ethylurea
CID 137431839
7-(benzenesulfonylmethyl)-2-(7-chloro-1H-indazol-5-yl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 155006886
6-(7-chloro-1H-indazol-5-yl)-3-(pent-3-yn-2-ylamino)-5-phenyl-1H-pyrazin-2-one
CID 137430504
[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]urea
CID 137431825
2-(7-chloro-1H-indazol-5-yl)-7-(cyclopropyloxymethyl)-3-phenyl-5H-pyrido[2,3-b]pyrazin-6-one
CID 154656438

Frequently Asked Questions

What is the IUPAC name of 6-(7-chloro-1H-indazol-5-yl)-5-methyl-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carbonitrile?
The IUPAC name of 6-(7-chloro-1H-indazol-5-yl)-5-methyl-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carbonitrile (CID 137438594) is 6-(7-chloro-1H-indazol-5-yl)-5-methyl-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carbonitrile.
What is the SMILES notation for 6-(7-chloro-1H-indazol-5-yl)-5-methyl-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carbonitrile?
The canonical SMILES for 6-(7-chloro-1H-indazol-5-yl)-5-methyl-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carbonitrile is Cc1c(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc2[nH]c(=O)c(C#N)cc12.
What is the InChIKey of 6-(7-chloro-1H-indazol-5-yl)-5-methyl-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carbonitrile?
The InChIKey is DSPDJKWBMUYURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClN5O/c1-12-17-8-15(10-25)23(30)28-22(17)27-21(13-5-3-2-4-6-13)19(12)14-7-16-11-26-29-20(16)18(24)9-14/h2-9,11H,1H3,(H,26,29)(H,27,28,30).
What are the key properties of 6-(7-chloro-1H-indazol-5-yl)-5-methyl-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carbonitrile?
6-(7-chloro-1H-indazol-5-yl)-5-methyl-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carbonitrile has a molecular weight of 411.85 g/mol, XLogP of 4.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-chloro-1H-indazol-5-yl)-5-methyl-2-oxo-7-phenyl-1H-1,8-naphthyridine-3-carbonitrile is sourced from PubChem (CID 137438594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).