3-(5-chloro-2-fluorophenyl)-6-(1-methylcyclopropyl)-5-(pyrido[4,3-d]pyrimidin-4-ylamino)-1H-pyridin-2-one

C22H17ClFN5O — CID 146299182

IUPAC3-(5-chloro-2-fluorophenyl)-6-(1-methylcyclopropyl)-5-(pyrido[4,3-d]pyrimidin-4-ylamino)-1H-pyridin-2-one
SMILESCC1(c2[nH]c(=O)c(-c3cc(Cl)ccc3F)cc2Nc2ncnc3ccncc23)CC1
InChIInChI=1S/C22H17ClFN5O/c1-22(5-6-22)19-18(28-20-15-10-25-7-4-17(15)26-11-27-20)9-14(21(30)29-19)13-8-12(23)2-3-16(13)24/h2-4,7-11H,5-6H2,1H3,(H,29,30)(H,26,27,28)
InChIKeyIKISNFNJYCEKIG-UHFFFAOYSA-N
MW421.86 g/mol
LogP4.97
Rot. Bonds4

About 3-(5-chloro-2-fluorophenyl)-6-(1-methylcyclopropyl)-5-(pyrido[4,3-d]pyrimidin-4-ylamino)-1H-pyridin-2-one

3-(5-chloro-2-fluorophenyl)-6-(1-methylcyclopropyl)-5-(pyrido[4,3-d]pyrimidin-4-ylamino)-1H-pyridin-2-one (PubChem CID 146299182) has the molecular formula C22H17ClFN5O and a molecular weight of 421.86 g/mol. Its IUPAC name is 3-(5-chloro-2-fluorophenyl)-6-(1-methylcyclopropyl)-5-(pyrido[4,3-d]pyrimidin-4-ylamino)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(5-chloro-2-fluorophenyl)-6-(1-methylcyclopropyl)-5-(pyrido[4,3-d]pyrimidin-4-ylamino)-1H-pyridin-2-one
PubChem CID146299182
Molecular FormulaC22H17ClFN5O
Molecular Weight421.86 g/mol
Exact Mass421.11
IUPAC Name3-(5-chloro-2-fluorophenyl)-6-(1-methylcyclopropyl)-5-(pyrido[4,3-d]pyrimidin-4-ylamino)-1H-pyridin-2-one
SMILESCC1(c2[nH]c(=O)c(-c3cc(Cl)ccc3F)cc2Nc2ncnc3ccncc23)CC1
InChIInChI=1S/C22H17ClFN5O/c1-22(5-6-22)19-18(28-20-15-10-25-7-4-17(15)26-11-27-20)9-14(21(30)29-19)13-8-12(23)2-3-16(13)24/h2-4,7-11H,5-6H2,1H3,(H,29,30)(H,26,27,28)
InChIKeyIKISNFNJYCEKIG-UHFFFAOYSA-N
XLogP4.97
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.86
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-chloro-2-fluorocyclohexa-1,5-dien-1-yl)-6-methylsulfanyl-5-(pyrido[4,3-d]pyrimidin-4-ylamino)-1H-pyridin-2-one
CID 153392309
3-(5-chloro-2-fluorophenyl)-6-cyclopropyl-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-1H-pyridin-2-one
CID 146299202
N-(3-chlorophenyl)pyrido[4,3-d]pyrimidin-4-amine
CID 22460895
3-(5-chloro-2-fluorophenyl)-6-(dimethylamino)-5-[(3-methyl-4-pyridinyl)amino]-1H-pyridin-2-one;methyl formate
CID 153392191
3-(5-chloro-2-fluorophenyl)-6-methylsulfanyl-5-(1H-pyrazolo[3,4-b]pyridin-4-ylamino)-1H-pyridin-2-one
CID 146299041
N-(2,5-dichlorophenyl)-6-fluoroquinazolin-4-amine
CID 110434593
methyl 4-[[5-(5-chloro-2-fluorophenyl)-2-cyclopropyl-6-oxo-1H-pyridin-3-yl]amino]pyridine-3-carboxylate
CID 146296322
3-(5-chloro-2-fluorophenyl)-6-ethyl-5-(1H-pyrazolo[3,4-b]pyridin-4-ylamino)-1H-pyridin-2-one
CID 146299044
5-[(3-acetyl-4-pyridinyl)amino]-3-(5-chloro-2-fluorophenyl)-6-(oxetan-3-yl)-1H-pyridin-2-one
CID 153392314
4-chloro-2-[(6-methylquinazolin-4-yl)amino]phenol
CID 21002450
N-(4-chloro-2-fluorophenyl)-6-methoxyquinazolin-4-amine
CID 86586464
4-[[5-(5-chloro-2-fluorophenyl)-2-(dimethylamino)-6-oxo-1H-pyridin-3-yl]amino]-N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide;sulfane
CID 159818540

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-fluorophenyl)-6-(1-methylcyclopropyl)-5-(pyrido[4,3-d]pyrimidin-4-ylamino)-1H-pyridin-2-one?
The IUPAC name of 3-(5-chloro-2-fluorophenyl)-6-(1-methylcyclopropyl)-5-(pyrido[4,3-d]pyrimidin-4-ylamino)-1H-pyridin-2-one (CID 146299182) is 3-(5-chloro-2-fluorophenyl)-6-(1-methylcyclopropyl)-5-(pyrido[4,3-d]pyrimidin-4-ylamino)-1H-pyridin-2-one.
What is the SMILES notation for 3-(5-chloro-2-fluorophenyl)-6-(1-methylcyclopropyl)-5-(pyrido[4,3-d]pyrimidin-4-ylamino)-1H-pyridin-2-one?
The canonical SMILES for 3-(5-chloro-2-fluorophenyl)-6-(1-methylcyclopropyl)-5-(pyrido[4,3-d]pyrimidin-4-ylamino)-1H-pyridin-2-one is CC1(c2[nH]c(=O)c(-c3cc(Cl)ccc3F)cc2Nc2ncnc3ccncc23)CC1.
What is the InChIKey of 3-(5-chloro-2-fluorophenyl)-6-(1-methylcyclopropyl)-5-(pyrido[4,3-d]pyrimidin-4-ylamino)-1H-pyridin-2-one?
The InChIKey is IKISNFNJYCEKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN5O/c1-22(5-6-22)19-18(28-20-15-10-25-7-4-17(15)26-11-27-20)9-14(21(30)29-19)13-8-12(23)2-3-16(13)24/h2-4,7-11H,5-6H2,1H3,(H,29,30)(H,26,27,28).
What are the key properties of 3-(5-chloro-2-fluorophenyl)-6-(1-methylcyclopropyl)-5-(pyrido[4,3-d]pyrimidin-4-ylamino)-1H-pyridin-2-one?
3-(5-chloro-2-fluorophenyl)-6-(1-methylcyclopropyl)-5-(pyrido[4,3-d]pyrimidin-4-ylamino)-1H-pyridin-2-one has a molecular weight of 421.86 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-fluorophenyl)-6-(1-methylcyclopropyl)-5-(pyrido[4,3-d]pyrimidin-4-ylamino)-1H-pyridin-2-one is sourced from PubChem (CID 146299182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).