7-[5-chloro-4-(dimethylamino)-6-fluoro-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid

C24H19ClFN5O3 — CID 159787108

IUPAC7-[5-chloro-4-(dimethylamino)-6-fluoro-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
SMILESCNc1cc(F)c(Cl)c2c1Cc1ncc(-c3ccc4ncc(C(=O)O)c(=O)n4c3)c(N(C)C)c1-2
InChIInChI=1S/C24H19ClFN5O3/c1-27-16-7-15(26)21(25)19-12(16)6-17-20(19)22(30(2)3)13(8-28-17)11-4-5-18-29-9-14(24(33)34)23(32)31(18)10-11/h4-5,7-10,27H,6H2,1-3H3,(H,33,34)
InChIKeyNIBYVNKNSWEYOY-UHFFFAOYSA-N
MW479.90 g/mol
LogP3.93
Rot. Bonds4

About 7-[5-chloro-4-(dimethylamino)-6-fluoro-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid

7-[5-chloro-4-(dimethylamino)-6-fluoro-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid (PubChem CID 159787108) has the molecular formula C24H19ClFN5O3 and a molecular weight of 479.90 g/mol. Its IUPAC name is 7-[5-chloro-4-(dimethylamino)-6-fluoro-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name7-[5-chloro-4-(dimethylamino)-6-fluoro-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
PubChem CID159787108
Molecular FormulaC24H19ClFN5O3
Molecular Weight479.90 g/mol
Exact Mass479.12
IUPAC Name7-[5-chloro-4-(dimethylamino)-6-fluoro-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid
SMILESCNc1cc(F)c(Cl)c2c1Cc1ncc(-c3ccc4ncc(C(=O)O)c(=O)n4c3)c(N(C)C)c1-2
InChIInChI=1S/C24H19ClFN5O3/c1-27-16-7-15(26)21(25)19-12(16)6-17-20(19)22(30(2)3)13(8-28-17)11-4-5-18-29-9-14(24(33)34)23(32)31(18)10-11/h4-5,7-10,27H,6H2,1-3H3,(H,33,34)
InChIKeyNIBYVNKNSWEYOY-UHFFFAOYSA-N
XLogP3.93
TPSA99.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.90
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-[5-chloro-4-(dimethylamino)-6-fluoro-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid with MolForge

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Related Compounds

7-[4-[(2R,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-5,6-difluoro-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-4-oxoquinolizine-3-carboxylic acid
CID 162042432
7-[4-[(4R,6aS)-4-(dimethylamino)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-5-chloro-6-fluoro-8-(methylamino)-9H-pyrido[2,3-b]indol-3-yl]-4-oxoquinolizine-3-carboxylic acid
CID 159498617
7-[4-[(2S,3R)-2-amino-5-azaspiro[2.4]heptan-5-yl]-5-chloro-6-fluoro-8-(methylamino)-9H-pyrido[2,3-b]indol-3-yl]-4-oxoquinolizine-3-carboxylic acid
CID 155775757
7-[4-(2-amino-5-azaspiro[2.4]heptan-5-yl)-5-chloro-6-fluoro-8-(methylamino)-9H-pyrido[2,3-b]indol-3-yl]-4-oxoquinolizine-3-carboxylic acid
CID 146264646
6-[4-(dimethylamino)-8-(ethylamino)-5,6-difluoro-9H-indeno[2,1-b]pyridin-3-yl]-4-oxo-1-pyrrolidin-3-yl-1,8-naphthyridine-3-carboxylic acid
CID 159366015
6-[5,6-difluoro-4-[3-[2-hydroxyethyl(methyl)amino]pyrrolidin-1-yl]-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 159873613
6-[4-[3-[(dimethylamino)methyl]-3-methylpyrrolidin-1-yl]-5,6-difluoro-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 159706276
6-[4-[3-(dimethylamino)piperidin-1-yl]-5,6-difluoro-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 148968020
6-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-difluoro-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-(ethylamino)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 158596556
6-[5,6-difluoro-4-[3-[2-methoxyethyl(methyl)amino]pyrrolidin-1-yl]-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 158118999
6-[5,6-difluoro-4-(4-methoxypiperidin-1-yl)-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 159939871
6-[4-[3-[(dimethylamino)methyl]piperidin-1-yl]-5,6-difluoro-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-1-(methylamino)-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 158282764

Frequently Asked Questions

What is the IUPAC name of 7-[5-chloro-4-(dimethylamino)-6-fluoro-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 7-[5-chloro-4-(dimethylamino)-6-fluoro-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid (CID 159787108) is 7-[5-chloro-4-(dimethylamino)-6-fluoro-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 7-[5-chloro-4-(dimethylamino)-6-fluoro-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 7-[5-chloro-4-(dimethylamino)-6-fluoro-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid is CNc1cc(F)c(Cl)c2c1Cc1ncc(-c3ccc4ncc(C(=O)O)c(=O)n4c3)c(N(C)C)c1-2.
What is the InChIKey of 7-[5-chloro-4-(dimethylamino)-6-fluoro-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid?
The InChIKey is NIBYVNKNSWEYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN5O3/c1-27-16-7-15(26)21(25)19-12(16)6-17-20(19)22(30(2)3)13(8-28-17)11-4-5-18-29-9-14(24(33)34)23(32)31(18)10-11/h4-5,7-10,27H,6H2,1-3H3,(H,33,34).
What are the key properties of 7-[5-chloro-4-(dimethylamino)-6-fluoro-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid?
7-[5-chloro-4-(dimethylamino)-6-fluoro-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid has a molecular weight of 479.90 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-chloro-4-(dimethylamino)-6-fluoro-8-(methylamino)-9H-indeno[2,1-b]pyridin-3-yl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 159787108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).