7-[2-chloro-5-(1-fluoroethyl)phenyl]-8-fluoro-2-methoxy-N-methylpyrido[4,3-d]pyrimidin-4-amine

C17H15ClF2N4O — CID 170704568

IUPAC7-[2-chloro-5-(1-fluoroethyl)phenyl]-8-fluoro-2-methoxy-N-methylpyrido[4,3-d]pyrimidin-4-amine
SMILESCNc1nc(OC)nc2c(F)c(-c3cc(C(C)F)ccc3Cl)ncc12
InChIInChI=1S/C17H15ClF2N4O/c1-8(19)9-4-5-12(18)10(6-9)14-13(20)15-11(7-22-14)16(21-2)24-17(23-15)25-3/h4-8H,1-3H3,(H,21,23,24)
InChIKeyAVUIOKAHGOXTTA-UHFFFAOYSA-N
MW364.78 g/mol
LogP4.57
Rot. Bonds4

About 7-[2-chloro-5-(1-fluoroethyl)phenyl]-8-fluoro-2-methoxy-N-methylpyrido[4,3-d]pyrimidin-4-amine

7-[2-chloro-5-(1-fluoroethyl)phenyl]-8-fluoro-2-methoxy-N-methylpyrido[4,3-d]pyrimidin-4-amine (PubChem CID 170704568) has the molecular formula C17H15ClF2N4O and a molecular weight of 364.78 g/mol. Its IUPAC name is 7-[2-chloro-5-(1-fluoroethyl)phenyl]-8-fluoro-2-methoxy-N-methylpyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[2-chloro-5-(1-fluoroethyl)phenyl]-8-fluoro-2-methoxy-N-methylpyrido[4,3-d]pyrimidin-4-amine
PubChem CID170704568
Molecular FormulaC17H15ClF2N4O
Molecular Weight364.78 g/mol
Exact Mass364.09
IUPAC Name7-[2-chloro-5-(1-fluoroethyl)phenyl]-8-fluoro-2-methoxy-N-methylpyrido[4,3-d]pyrimidin-4-amine
SMILESCNc1nc(OC)nc2c(F)c(-c3cc(C(C)F)ccc3Cl)ncc12
InChIInChI=1S/C17H15ClF2N4O/c1-8(19)9-4-5-12(18)10(6-9)14-13(20)15-11(7-22-14)16(21-2)24-17(23-15)25-3/h4-8H,1-3H3,(H,21,23,24)
InChIKeyAVUIOKAHGOXTTA-UHFFFAOYSA-N
XLogP4.57
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.78
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-[2-chloro-5-(1-fluoroethyl)phenyl]-8-fluoro-2-methoxy-N-methylpyrido[4,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

7-[2-chloro-5-(1-fluoroethyl)phenyl]-8-fluoro-2-methoxy-N-methylpyrido[4,3-d]pyrimidin-4-amine;2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine;1-(3-methylpyrrolidin-1-yl)prop-2-en-1-one
CID 170704567
8-fluoro-2-methoxy-N-methyl-7-pyrazolo[1,5-a]pyridin-4-ylpyrido[4,3-d]pyrimidin-4-amine
CID 170704169
5-ethynyl-6-fluoro-4-[8-fluoro-2-methoxy-5-(methylamino)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
CID 172607233
(E)-1-[4-[7-[3-chloro-2-(trifluoromethyl)phenyl]-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]-4-(dimethylamino)pent-2-en-1-one
CID 172576965
7-(8-chloronaphthalen-1-yl)-4-(3,5-diethylpiperazin-1-yl)-8-fluoro-2-methoxypyrido[4,3-d]pyrimidine
CID 172589399
3,5-dichloro-6-(2-chloro-5-fluorophenyl)-N-methylpyridin-2-amine
CID 102754069
3-(2-chloro-5-fluorophenyl)-N-methylpyrazin-2-amine
CID 105396110
(E)-1-[4-[7-[3-chloro-2-(trifluoromethyl)phenyl]-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-4-yl]piperazin-1-yl]-4-pyrrolidin-1-ylbut-2-en-1-one
CID 169127681
7-(5-chloroisoquinolin-4-yl)-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-methoxypyrido[4,3-d]pyrimidine;1-methylpyrrolidine
CID 156645714
acetonitrile;7-(8-chloro-7-fluoronaphthalen-1-yl)-8-fluoro-2-methoxy-4-piperazin-1-ylpyrido[4,3-d]pyrimidine
CID 172577249
4-[7-(8-chloro-7-fluoro-3-hydroxynaphthalen-1-yl)-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-4-yl]-6-methyl-1,4-oxazepan-6-ol
CID 167120276
5-(1-fluoroethyl)-2-methoxy-N-methylaniline
CID 84659165

Frequently Asked Questions

What is the IUPAC name of 7-[2-chloro-5-(1-fluoroethyl)phenyl]-8-fluoro-2-methoxy-N-methylpyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 7-[2-chloro-5-(1-fluoroethyl)phenyl]-8-fluoro-2-methoxy-N-methylpyrido[4,3-d]pyrimidin-4-amine (CID 170704568) is 7-[2-chloro-5-(1-fluoroethyl)phenyl]-8-fluoro-2-methoxy-N-methylpyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[2-chloro-5-(1-fluoroethyl)phenyl]-8-fluoro-2-methoxy-N-methylpyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-[2-chloro-5-(1-fluoroethyl)phenyl]-8-fluoro-2-methoxy-N-methylpyrido[4,3-d]pyrimidin-4-amine is CNc1nc(OC)nc2c(F)c(-c3cc(C(C)F)ccc3Cl)ncc12.
What is the InChIKey of 7-[2-chloro-5-(1-fluoroethyl)phenyl]-8-fluoro-2-methoxy-N-methylpyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is AVUIOKAHGOXTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClF2N4O/c1-8(19)9-4-5-12(18)10(6-9)14-13(20)15-11(7-22-14)16(21-2)24-17(23-15)25-3/h4-8H,1-3H3,(H,21,23,24).
What are the key properties of 7-[2-chloro-5-(1-fluoroethyl)phenyl]-8-fluoro-2-methoxy-N-methylpyrido[4,3-d]pyrimidin-4-amine?
7-[2-chloro-5-(1-fluoroethyl)phenyl]-8-fluoro-2-methoxy-N-methylpyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 364.78 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-chloro-5-(1-fluoroethyl)phenyl]-8-fluoro-2-methoxy-N-methylpyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 170704568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).