2-(5-chloro-2-fluorophenyl)-N-(3-methoxy-4-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine

C19H13ClFN5O — CID 11989671

IUPAC2-(5-chloro-2-fluorophenyl)-N-(3-methoxy-4-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCOc1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2ncccc12
InChIInChI=1S/C19H13ClFN5O/c1-27-16-10-22-8-6-15(16)24-18-12-3-2-7-23-17(12)25-19(26-18)13-9-11(20)4-5-14(13)21/h2-10H,1H3,(H,22,23,24,25,26)
InChIKeyIMQQLGUGIZRSIP-UHFFFAOYSA-N
MW381.80 g/mol
LogP4.63
Rot. Bonds4

About 2-(5-chloro-2-fluorophenyl)-N-(3-methoxy-4-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine

2-(5-chloro-2-fluorophenyl)-N-(3-methoxy-4-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 11989671) has the molecular formula C19H13ClFN5O and a molecular weight of 381.80 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-N-(3-methoxy-4-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-N-(3-methoxy-4-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID11989671
Molecular FormulaC19H13ClFN5O
Molecular Weight381.80 g/mol
Exact Mass381.08
IUPAC Name2-(5-chloro-2-fluorophenyl)-N-(3-methoxy-4-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCOc1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2ncccc12
InChIInChI=1S/C19H13ClFN5O/c1-27-16-10-22-8-6-15(16)24-18-12-3-2-7-23-17(12)25-19(26-18)13-9-11(20)4-5-14(13)21/h2-10H,1H3,(H,22,23,24,25,26)
InChIKeyIMQQLGUGIZRSIP-UHFFFAOYSA-N
XLogP4.63
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.80
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(5-chloro-2-fluorophenyl)-N-(3-methoxy-4-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

3-(2-chloro-6-methylphenyl)-1-(5-methoxy-2-pyridinyl)-7-[4-(4-methylpiperazin-1-yl)anilino]-4H-pyrimido[4,5-d]pyrimidin-2-one
CID 121596780
6-[(4-Chloro-2-methoxy-5-methyl-anilino)methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 462117
6-[(3-Fluoro-4-methoxy-anilino)methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 472849
6-[(2-Difluoromethoxy-phenylamino)-methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 472852
4-Quinazolinamine, N-(5-methoxy-2-pyridinyl)-N,2-dimethyl-
CID 11666313
4-(5-Chloro-2-methoxyanilino)-2-(3-pyridinyl)-6-trifluoromethylpyrimidine
CID 22732469
N'-(5-((3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-5-methoxy-2-pyridinyl)amino)-2-chloro-3-pyridinyl)-N,N-dimethylsulfamide
CID 59548419
6-Fluoro-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]quinazoline
CID 127044078
6-{[(2-Methoxyphenyl)amino]methyl}-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 472903
2-(3-chlorophenyl)-N-[2-(4-methoxyphenyl)-4-pyridinyl]quinazolin-4-amine
CID 44532960
N-(3-fluoro-4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 70789647
2-(3-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-amine
CID 137633043

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-(3-methoxy-4-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-N-(3-methoxy-4-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine (CID 11989671) is 2-(5-chloro-2-fluorophenyl)-N-(3-methoxy-4-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-N-(3-methoxy-4-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-N-(3-methoxy-4-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine is COc1cnccc1Nc1nc(-c2cc(Cl)ccc2F)nc2ncccc12.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-N-(3-methoxy-4-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is IMQQLGUGIZRSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN5O/c1-27-16-10-22-8-6-15(16)24-18-12-3-2-7-23-17(12)25-19(26-18)13-9-11(20)4-5-14(13)21/h2-10H,1H3,(H,22,23,24,25,26).
What are the key properties of 2-(5-chloro-2-fluorophenyl)-N-(3-methoxy-4-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine?
2-(5-chloro-2-fluorophenyl)-N-(3-methoxy-4-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 381.80 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-N-(3-methoxy-4-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11989671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).