2-[5-chloro-2-fluoro-3-[4-(3-pyridin-2-yl-1H-pyrazol-4-yl)quinolin-6-yl]phenyl]-N-pyridin-4-ylpteridin-4-amine

C34H20ClFN10 — CID 136654835

IUPAC2-[5-chloro-2-fluoro-3-[4-(3-pyridin-2-yl-1H-pyrazol-4-yl)quinolin-6-yl]phenyl]-N-pyridin-4-ylpteridin-4-amine
SMILESFc1c(-c2ccc3nccc(-c4c[nH]nc4-c4ccccn4)c3c2)cc(Cl)cc1-c1nc(Nc2ccncc2)c2nccnc2n1
InChIInChI=1S/C34H20ClFN10/c35-20-16-23(19-4-5-27-24(15-19)22(8-12-39-27)26-18-42-46-30(26)28-3-1-2-9-38-28)29(36)25(17-20)32-44-33-31(40-13-14-41-33)34(45-32)43-21-6-10-37-11-7-21/h1-18H,(H,42,46)(H,37,41,43,44,45)
InChIKeyLRXCWMZGIUXQNZ-UHFFFAOYSA-N
MW623.06 g/mol
LogP7.69
Rot. Bonds6

About 2-[5-chloro-2-fluoro-3-[4-(3-pyridin-2-yl-1H-pyrazol-4-yl)quinolin-6-yl]phenyl]-N-pyridin-4-ylpteridin-4-amine

2-[5-chloro-2-fluoro-3-[4-(3-pyridin-2-yl-1H-pyrazol-4-yl)quinolin-6-yl]phenyl]-N-pyridin-4-ylpteridin-4-amine (PubChem CID 136654835) has the molecular formula C34H20ClFN10 and a molecular weight of 623.06 g/mol. Its IUPAC name is 2-[5-chloro-2-fluoro-3-[4-(3-pyridin-2-yl-1H-pyrazol-4-yl)quinolin-6-yl]phenyl]-N-pyridin-4-ylpteridin-4-amine.

Molecular Properties

Compound Name2-[5-chloro-2-fluoro-3-[4-(3-pyridin-2-yl-1H-pyrazol-4-yl)quinolin-6-yl]phenyl]-N-pyridin-4-ylpteridin-4-amine
PubChem CID136654835
Molecular FormulaC34H20ClFN10
Molecular Weight623.06 g/mol
Exact Mass622.15
IUPAC Name2-[5-chloro-2-fluoro-3-[4-(3-pyridin-2-yl-1H-pyrazol-4-yl)quinolin-6-yl]phenyl]-N-pyridin-4-ylpteridin-4-amine
SMILESFc1c(-c2ccc3nccc(-c4c[nH]nc4-c4ccccn4)c3c2)cc(Cl)cc1-c1nc(Nc2ccncc2)c2nccnc2n1
InChIInChI=1S/C34H20ClFN10/c35-20-16-23(19-4-5-27-24(15-19)22(8-12-39-27)26-18-42-46-30(26)28-3-1-2-9-38-28)29(36)25(17-20)32-44-33-31(40-13-14-41-33)34(45-32)43-21-6-10-37-11-7-21/h1-18H,(H,42,46)(H,37,41,43,44,45)
InChIKeyLRXCWMZGIUXQNZ-UHFFFAOYSA-N
XLogP7.69
TPSA130.94 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.06
LogP ≤ 57.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[5-chloro-2-fluoro-3-[4-(3-pyridin-2-yl-1H-pyrazol-4-yl)quinolin-6-yl]phenyl]-N-pyridin-4-ylpteridin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

N-(1-(1-((2-Chloro-6-methylpyridin-4-yl)methyl)-1H-imidazol-2-yl)-2-(7-methyl-1H-indazol-5-yl)ethyl)-4-(2-oxo-1,2-dihydroquinazolin-3(4H)-yl)piperidine-1-carboxamide
CID 11422298
7-Chloro-4-(6-(4-(piperazin-1-yl)phenyl)pyrazolo[1,5-a]pyrimidin-3-yl)quinoline
CID 44223299
N-(5-chloro-2-fluorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 57390346
N-(2-chloro-4-fluorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 57400791
N-(3-chloro-4-fluorophenyl)-6-(1-piperidin-4-ylpyrazol-4-yl)quinazolin-4-amine
CID 127045270
6-chloro-4-N-[2-(1H-indol-3-yl)ethyl]-2-N-(1H-pyrazolo[3,4-b]pyridin-5-yl)quinazoline-2,4-diamine
CID 137657621
2-(1H-indazol-5-yl)-4-piperazin-1-ylpyrido[3,4-d]pyrimidine
CID 91758287
4-N-[6-chloro-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-8-yl]cyclohexane-1,4-diamine
CID 155517517
6-chloro-3-(1H-indazol-5-yl)-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-8-amine
CID 155546098
6-chloro-3-(1H-indazol-5-yl)-N-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-b]pyridazin-8-amine
CID 155560487
4-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-6-(1-piperidin-4-ylpyrazol-4-yl)quinazoline-2,4-diamine
CID 127045114
N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-6-(1-piperidin-4-ylpyrazol-4-yl)quinazolin-4-amine
CID 127045268

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-fluoro-3-[4-(3-pyridin-2-yl-1H-pyrazol-4-yl)quinolin-6-yl]phenyl]-N-pyridin-4-ylpteridin-4-amine?
The IUPAC name of 2-[5-chloro-2-fluoro-3-[4-(3-pyridin-2-yl-1H-pyrazol-4-yl)quinolin-6-yl]phenyl]-N-pyridin-4-ylpteridin-4-amine (CID 136654835) is 2-[5-chloro-2-fluoro-3-[4-(3-pyridin-2-yl-1H-pyrazol-4-yl)quinolin-6-yl]phenyl]-N-pyridin-4-ylpteridin-4-amine.
What is the SMILES notation for 2-[5-chloro-2-fluoro-3-[4-(3-pyridin-2-yl-1H-pyrazol-4-yl)quinolin-6-yl]phenyl]-N-pyridin-4-ylpteridin-4-amine?
The canonical SMILES for 2-[5-chloro-2-fluoro-3-[4-(3-pyridin-2-yl-1H-pyrazol-4-yl)quinolin-6-yl]phenyl]-N-pyridin-4-ylpteridin-4-amine is Fc1c(-c2ccc3nccc(-c4c[nH]nc4-c4ccccn4)c3c2)cc(Cl)cc1-c1nc(Nc2ccncc2)c2nccnc2n1.
What is the InChIKey of 2-[5-chloro-2-fluoro-3-[4-(3-pyridin-2-yl-1H-pyrazol-4-yl)quinolin-6-yl]phenyl]-N-pyridin-4-ylpteridin-4-amine?
The InChIKey is LRXCWMZGIUXQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H20ClFN10/c35-20-16-23(19-4-5-27-24(15-19)22(8-12-39-27)26-18-42-46-30(26)28-3-1-2-9-38-28)29(36)25(17-20)32-44-33-31(40-13-14-41-33)34(45-32)43-21-6-10-37-11-7-21/h1-18H,(H,42,46)(H,37,41,43,44,45).
What are the key properties of 2-[5-chloro-2-fluoro-3-[4-(3-pyridin-2-yl-1H-pyrazol-4-yl)quinolin-6-yl]phenyl]-N-pyridin-4-ylpteridin-4-amine?
2-[5-chloro-2-fluoro-3-[4-(3-pyridin-2-yl-1H-pyrazol-4-yl)quinolin-6-yl]phenyl]-N-pyridin-4-ylpteridin-4-amine has a molecular weight of 623.06 g/mol, XLogP of 7.69, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-fluoro-3-[4-(3-pyridin-2-yl-1H-pyrazol-4-yl)quinolin-6-yl]phenyl]-N-pyridin-4-ylpteridin-4-amine is sourced from PubChem (CID 136654835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).