6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-piperazin-1-yl-1,8-naphthyridine-3-carboxamide

C28H28ClFN6O2 — CID 153292706

IUPAC6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-piperazin-1-yl-1,8-naphthyridine-3-carboxamide
SMILESCc1ccnc(C(C)C)c1-n1c(=O)c(C(N)=O)c(N2CCNCC2)c2cc(Cl)c(-c3ccccc3F)nc21
InChIInChI=1S/C28H28ClFN6O2/c1-15(2)22-24(16(3)8-9-33-22)36-27-18(14-19(29)23(34-27)17-6-4-5-7-20(17)30)25(21(26(31)37)28(36)38)35-12-10-32-11-13-35/h4-9,14-15,32H,10-13H2,1-3H3,(H2,31,37)
InChIKeyOBKWIPFQUSDCOE-UHFFFAOYSA-N
MW535.02 g/mol
LogP4.18
Rot. Bonds5

About 6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-piperazin-1-yl-1,8-naphthyridine-3-carboxamide

6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-piperazin-1-yl-1,8-naphthyridine-3-carboxamide (PubChem CID 153292706) has the molecular formula C28H28ClFN6O2 and a molecular weight of 535.02 g/mol. Its IUPAC name is 6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-piperazin-1-yl-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-piperazin-1-yl-1,8-naphthyridine-3-carboxamide
PubChem CID153292706
Molecular FormulaC28H28ClFN6O2
Molecular Weight535.02 g/mol
Exact Mass534.19
IUPAC Name6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-piperazin-1-yl-1,8-naphthyridine-3-carboxamide
SMILESCc1ccnc(C(C)C)c1-n1c(=O)c(C(N)=O)c(N2CCNCC2)c2cc(Cl)c(-c3ccccc3F)nc21
InChIInChI=1S/C28H28ClFN6O2/c1-15(2)22-24(16(3)8-9-33-22)36-27-18(14-19(29)23(34-27)17-6-4-5-7-20(17)30)25(21(26(31)37)28(36)38)35-12-10-32-11-13-35/h4-9,14-15,32H,10-13H2,1-3H3,(H2,31,37)
InChIKeyOBKWIPFQUSDCOE-UHFFFAOYSA-N
XLogP4.18
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.02
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-piperazin-1-yl-1,8-naphthyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[6-chloro-7-(2-fluorophenyl)-3-isocyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate
CID 153292298
6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(1-prop-2-enoylazetidin-3-yl)amino]pyrido[2,3-d]pyrimidin-2-one
CID 146235182
6-chloro-1-[2,4-di(propan-2-yl)-3-pyridinyl]-7-(2-fluorophenyl)-3-isocyano-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridin-2-one
CID 147966826
tert-butyl 3-[[6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]amino]azetidine-1-carboxylate
CID 146235933
6-chloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-7-(2-fluorophenyl)-3-isocyano-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridin-2-one
CID 153292230
6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-(7-prop-2-enoyl-4,7-diazaspiro[2.5]octan-4-yl)pyrido[2,3-d]pyrimidin-2-one
CID 146235851
(7R)-16-chloro-15-(2-fluoro-6-methoxyphenyl)-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-8,11-dione
CID 156732200
(7R)-16-chloro-15-(2-fluoro-6-methoxyphenyl)-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-9-oxa-2,5,12,14-tetrazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraen-11-one
CID 156732214
6-chloro-7-(2-fluorophenyl)-4-[4-[(2R,3S)-3-(hydroxymethyl)oxirane-2-carbonyl]-2-methylpiperazin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 174240734
tert-butyl 8-[6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
CID 164523583
tert-butyl (4R,7R)-16-fluoro-15-(2-fluorophenyl)-4-methyl-12-(4-methyl-2-propan-2-yl-3-pyridinyl)-8,11-dioxo-2,5,9,12,14-pentazatetracyclo[8.8.0.02,7.013,18]octadeca-1(10),13,15,17-tetraene-5-carboxylate
CID 156732252
6-chloro-4-[(2S)-4-[2-(2,6-dichlorophenoxy)acetyl]-2-methylpiperazin-1-yl]-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 167313951

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-piperazin-1-yl-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-piperazin-1-yl-1,8-naphthyridine-3-carboxamide (CID 153292706) is 6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-piperazin-1-yl-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-piperazin-1-yl-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-piperazin-1-yl-1,8-naphthyridine-3-carboxamide is Cc1ccnc(C(C)C)c1-n1c(=O)c(C(N)=O)c(N2CCNCC2)c2cc(Cl)c(-c3ccccc3F)nc21.
What is the InChIKey of 6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-piperazin-1-yl-1,8-naphthyridine-3-carboxamide?
The InChIKey is OBKWIPFQUSDCOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28ClFN6O2/c1-15(2)22-24(16(3)8-9-33-22)36-27-18(14-19(29)23(34-27)17-6-4-5-7-20(17)30)25(21(26(31)37)28(36)38)35-12-10-32-11-13-35/h4-9,14-15,32H,10-13H2,1-3H3,(H2,31,37).
What are the key properties of 6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-piperazin-1-yl-1,8-naphthyridine-3-carboxamide?
6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-piperazin-1-yl-1,8-naphthyridine-3-carboxamide has a molecular weight of 535.02 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-piperazin-1-yl-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 153292706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).