N-(3-chloro-2-fluorophenyl)-7-fluoro-6-[(3S)-pyrrolidin-3-yl]oxypyrido[3,2-d]pyrimidin-4-amine

C17H14ClF2N5O — CID 156505416

IUPACN-(3-chloro-2-fluorophenyl)-7-fluoro-6-[(3S)-pyrrolidin-3-yl]oxypyrido[3,2-d]pyrimidin-4-amine
SMILESFc1cc2ncnc(Nc3cccc(Cl)c3F)c2nc1O[C@H]1CCNC1
InChIInChI=1S/C17H14ClF2N5O/c18-10-2-1-3-12(14(10)20)24-16-15-13(22-8-23-16)6-11(19)17(25-15)26-9-4-5-21-7-9/h1-3,6,8-9,21H,4-5,7H2,(H,22,23,24)/t9-/m0/s1
InChIKeyMDRKVROXTWQJRS-VIFPVBQESA-N
MW377.78 g/mol
LogP3.44
Rot. Bonds4

About N-(3-chloro-2-fluorophenyl)-7-fluoro-6-[(3S)-pyrrolidin-3-yl]oxypyrido[3,2-d]pyrimidin-4-amine

N-(3-chloro-2-fluorophenyl)-7-fluoro-6-[(3S)-pyrrolidin-3-yl]oxypyrido[3,2-d]pyrimidin-4-amine (PubChem CID 156505416) has the molecular formula C17H14ClF2N5O and a molecular weight of 377.78 g/mol. Its IUPAC name is N-(3-chloro-2-fluorophenyl)-7-fluoro-6-[(3S)-pyrrolidin-3-yl]oxypyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-2-fluorophenyl)-7-fluoro-6-[(3S)-pyrrolidin-3-yl]oxypyrido[3,2-d]pyrimidin-4-amine
PubChem CID156505416
Molecular FormulaC17H14ClF2N5O
Molecular Weight377.78 g/mol
Exact Mass377.09
IUPAC NameN-(3-chloro-2-fluorophenyl)-7-fluoro-6-[(3S)-pyrrolidin-3-yl]oxypyrido[3,2-d]pyrimidin-4-amine
SMILESFc1cc2ncnc(Nc3cccc(Cl)c3F)c2nc1O[C@H]1CCNC1
InChIInChI=1S/C17H14ClF2N5O/c18-10-2-1-3-12(14(10)20)24-16-15-13(22-8-23-16)6-11(19)17(25-15)26-9-4-5-21-7-9/h1-3,6,8-9,21H,4-5,7H2,(H,22,23,24)/t9-/m0/s1
InChIKeyMDRKVROXTWQJRS-VIFPVBQESA-N
XLogP3.44
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.78
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-fluorophenyl)-7-fluoro-6-[(3S)-pyrrolidin-3-yl]oxypyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(3-chloro-2-fluorophenyl)-7-fluoro-6-[(3S)-pyrrolidin-3-yl]oxypyrido[3,2-d]pyrimidin-4-amine (CID 156505416) is N-(3-chloro-2-fluorophenyl)-7-fluoro-6-[(3S)-pyrrolidin-3-yl]oxypyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-chloro-2-fluorophenyl)-7-fluoro-6-[(3S)-pyrrolidin-3-yl]oxypyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-chloro-2-fluorophenyl)-7-fluoro-6-[(3S)-pyrrolidin-3-yl]oxypyrido[3,2-d]pyrimidin-4-amine is Fc1cc2ncnc(Nc3cccc(Cl)c3F)c2nc1O[C@H]1CCNC1.
What is the InChIKey of N-(3-chloro-2-fluorophenyl)-7-fluoro-6-[(3S)-pyrrolidin-3-yl]oxypyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is MDRKVROXTWQJRS-VIFPVBQESA-N. The full InChI is InChI=1S/C17H14ClF2N5O/c18-10-2-1-3-12(14(10)20)24-16-15-13(22-8-23-16)6-11(19)17(25-15)26-9-4-5-21-7-9/h1-3,6,8-9,21H,4-5,7H2,(H,22,23,24)/t9-/m0/s1.
What are the key properties of N-(3-chloro-2-fluorophenyl)-7-fluoro-6-[(3S)-pyrrolidin-3-yl]oxypyrido[3,2-d]pyrimidin-4-amine?
N-(3-chloro-2-fluorophenyl)-7-fluoro-6-[(3S)-pyrrolidin-3-yl]oxypyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 377.78 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-fluorophenyl)-7-fluoro-6-[(3S)-pyrrolidin-3-yl]oxypyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 156505416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).