2-[3-chloro-5-[4-[[2-(2-fluorophenyl)pyrimidin-4-yl]amino]-2-pyridinyl]phenyl]-N-pyridin-4-ylpyrimidin-4-amine

C30H20ClFN8 — CID 142902239

IUPAC2-[3-chloro-5-[4-[[2-(2-fluorophenyl)pyrimidin-4-yl]amino]-2-pyridinyl]phenyl]-N-pyridin-4-ylpyrimidin-4-amine
SMILESFc1ccccc1-c1nccc(Nc2ccnc(-c3cc(Cl)cc(-c4nccc(Nc5ccncc5)n4)c3)c2)n1
InChIInChI=1S/C30H20ClFN8/c31-21-16-19(15-20(17-21)29-35-13-8-27(39-29)37-22-5-10-33-11-6-22)26-18-23(7-12-34-26)38-28-9-14-36-30(40-28)24-3-1-2-4-25(24)32/h1-18H,(H,33,35,37,39)(H,34,36,38,40)
InChIKeyFYKCUNZSFQQLTM-UHFFFAOYSA-N
MW547.00 g/mol
LogP7.34
Rot. Bonds7

About 2-[3-chloro-5-[4-[[2-(2-fluorophenyl)pyrimidin-4-yl]amino]-2-pyridinyl]phenyl]-N-pyridin-4-ylpyrimidin-4-amine

2-[3-chloro-5-[4-[[2-(2-fluorophenyl)pyrimidin-4-yl]amino]-2-pyridinyl]phenyl]-N-pyridin-4-ylpyrimidin-4-amine (PubChem CID 142902239) has the molecular formula C30H20ClFN8 and a molecular weight of 547.00 g/mol. Its IUPAC name is 2-[3-chloro-5-[4-[[2-(2-fluorophenyl)pyrimidin-4-yl]amino]-2-pyridinyl]phenyl]-N-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[3-chloro-5-[4-[[2-(2-fluorophenyl)pyrimidin-4-yl]amino]-2-pyridinyl]phenyl]-N-pyridin-4-ylpyrimidin-4-amine
PubChem CID142902239
Molecular FormulaC30H20ClFN8
Molecular Weight547.00 g/mol
Exact Mass546.15
IUPAC Name2-[3-chloro-5-[4-[[2-(2-fluorophenyl)pyrimidin-4-yl]amino]-2-pyridinyl]phenyl]-N-pyridin-4-ylpyrimidin-4-amine
SMILESFc1ccccc1-c1nccc(Nc2ccnc(-c3cc(Cl)cc(-c4nccc(Nc5ccncc5)n4)c3)c2)n1
InChIInChI=1S/C30H20ClFN8/c31-21-16-19(15-20(17-21)29-35-13-8-27(39-29)37-22-5-10-33-11-6-22)26-18-23(7-12-34-26)38-28-9-14-36-30(40-28)24-3-1-2-4-25(24)32/h1-18H,(H,33,35,37,39)(H,34,36,38,40)
InChIKeyFYKCUNZSFQQLTM-UHFFFAOYSA-N
XLogP7.34
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.00
LogP ≤ 57.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[3-chloro-5-[4-[[2-(2-fluorophenyl)pyrimidin-4-yl]amino]-2-pyridinyl]phenyl]-N-pyridin-4-ylpyrimidin-4-amine with MolForge

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Related Compounds

Htl14242
CID 86763358
SD-208
CID 10316032
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CID 44473101
Aminoisoquinoline, 13
CID 44473102
(3-Chlorobenzyl)-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amine
CID 24744270
Cdk9-IN-2
CID 49855228
N-(3-chlorophenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 929366
N-[(3-chlorophenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2465035
5-(4-{[(2-Chloropyridin-4-yl)methyl]amino}phenyl)-6-ethylpyrimidine-2,4-diamine
CID 11537683
N-(6-{6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-ylamino}hexyl)-6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-amine
CID 23644778
N-(7-{6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-ylamino}heptyl)-6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-amine
CID 23644779
N-(8-{6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-ylamino}octyl)-6H,7H,8H,9H-cyclohexa[b]1,8-naphthyridin-5-amine
CID 23644780

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-[4-[[2-(2-fluorophenyl)pyrimidin-4-yl]amino]-2-pyridinyl]phenyl]-N-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of 2-[3-chloro-5-[4-[[2-(2-fluorophenyl)pyrimidin-4-yl]amino]-2-pyridinyl]phenyl]-N-pyridin-4-ylpyrimidin-4-amine (CID 142902239) is 2-[3-chloro-5-[4-[[2-(2-fluorophenyl)pyrimidin-4-yl]amino]-2-pyridinyl]phenyl]-N-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 2-[3-chloro-5-[4-[[2-(2-fluorophenyl)pyrimidin-4-yl]amino]-2-pyridinyl]phenyl]-N-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for 2-[3-chloro-5-[4-[[2-(2-fluorophenyl)pyrimidin-4-yl]amino]-2-pyridinyl]phenyl]-N-pyridin-4-ylpyrimidin-4-amine is Fc1ccccc1-c1nccc(Nc2ccnc(-c3cc(Cl)cc(-c4nccc(Nc5ccncc5)n4)c3)c2)n1.
What is the InChIKey of 2-[3-chloro-5-[4-[[2-(2-fluorophenyl)pyrimidin-4-yl]amino]-2-pyridinyl]phenyl]-N-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is FYKCUNZSFQQLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20ClFN8/c31-21-16-19(15-20(17-21)29-35-13-8-27(39-29)37-22-5-10-33-11-6-22)26-18-23(7-12-34-26)38-28-9-14-36-30(40-28)24-3-1-2-4-25(24)32/h1-18H,(H,33,35,37,39)(H,34,36,38,40).
What are the key properties of 2-[3-chloro-5-[4-[[2-(2-fluorophenyl)pyrimidin-4-yl]amino]-2-pyridinyl]phenyl]-N-pyridin-4-ylpyrimidin-4-amine?
2-[3-chloro-5-[4-[[2-(2-fluorophenyl)pyrimidin-4-yl]amino]-2-pyridinyl]phenyl]-N-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 547.00 g/mol, XLogP of 7.34, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-[4-[[2-(2-fluorophenyl)pyrimidin-4-yl]amino]-2-pyridinyl]phenyl]-N-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 142902239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).