N-[(7-fluoroquinoxalin-6-yl)methyl]-5-methoxy-4-[(3R)-pyrrolidin-3-yl]oxypyridin-3-amine

C19H20FN5O2 — CID 168937285

IUPACN-[(7-fluoroquinoxalin-6-yl)methyl]-5-methoxy-4-[(3R)-pyrrolidin-3-yl]oxypyridin-3-amine
SMILESCOc1cncc(NCc2cc3nccnc3cc2F)c1O[C@@H]1CCNC1
InChIInChI=1S/C19H20FN5O2/c1-26-18-11-22-10-17(19(18)27-13-2-3-21-9-13)25-8-12-6-15-16(7-14(12)20)24-5-4-23-15/h4-7,10-11,13,21,25H,2-3,8-9H2,1H3/t13-/m1/s1
InChIKeyXKZVLJVSDDNPEG-CYBMUJFWSA-N
MW369.40 g/mol
LogP2.53
Rot. Bonds6

About N-[(7-fluoroquinoxalin-6-yl)methyl]-5-methoxy-4-[(3R)-pyrrolidin-3-yl]oxypyridin-3-amine

N-[(7-fluoroquinoxalin-6-yl)methyl]-5-methoxy-4-[(3R)-pyrrolidin-3-yl]oxypyridin-3-amine (PubChem CID 168937285) has the molecular formula C19H20FN5O2 and a molecular weight of 369.40 g/mol. Its IUPAC name is N-[(7-fluoroquinoxalin-6-yl)methyl]-5-methoxy-4-[(3R)-pyrrolidin-3-yl]oxypyridin-3-amine.

Molecular Properties

Compound NameN-[(7-fluoroquinoxalin-6-yl)methyl]-5-methoxy-4-[(3R)-pyrrolidin-3-yl]oxypyridin-3-amine
PubChem CID168937285
Molecular FormulaC19H20FN5O2
Molecular Weight369.40 g/mol
Exact Mass369.16
IUPAC NameN-[(7-fluoroquinoxalin-6-yl)methyl]-5-methoxy-4-[(3R)-pyrrolidin-3-yl]oxypyridin-3-amine
SMILESCOc1cncc(NCc2cc3nccnc3cc2F)c1O[C@@H]1CCNC1
InChIInChI=1S/C19H20FN5O2/c1-26-18-11-22-10-17(19(18)27-13-2-3-21-9-13)25-8-12-6-15-16(7-14(12)20)24-5-4-23-15/h4-7,10-11,13,21,25H,2-3,8-9H2,1H3/t13-/m1/s1
InChIKeyXKZVLJVSDDNPEG-CYBMUJFWSA-N
XLogP2.53
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(7-fluoroquinoxalin-6-yl)methyl]-5-methoxy-4-[(3R)-pyrrolidin-3-yl]oxypyridin-3-amine with MolForge

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Related Compounds

4-(azetidin-3-yloxy)-N-[(7-chloroquinoxalin-6-yl)methyl]pyridin-3-amine
CID 168937091
N-[(8-methylquinoxalin-6-yl)methyl]-4-[(3R)-pyrrolidin-3-yl]oxypyridin-3-amine
CID 168936957
5-(difluoromethyl)-N-[(7-fluoroquinoxalin-6-yl)methyl]-4-[(3S)-3-methylpiperazin-1-yl]pyridin-3-amine
CID 168937044
6-methoxy-7-pyrrolidin-3-yloxyquinazoline
CID 150692790
5-fluoro-2-[(3S)-pyrrolidin-3-yl]oxypyrimidine
CID 71643584
4-[(2-fluoro-4,5-dimethoxyphenyl)methyl]piperidine
CID 117386379
3,5-difluoro-2-pyrrolidin-3-yloxypyridine
CID 67479860
3-(2,3-dimethoxyphenoxy)pyrrolidine
CID 83536735
N-(3-chloro-2,5-difluorophenyl)-7-methoxy-6-[(3S)-pyrrolidin-3-yl]oxyquinazolin-4-amine
CID 68750156
N-(3,4-dichloro-2-fluorophenyl)-7-methoxy-6-piperidin-4-yloxyquinolin-4-amine
CID 155669681
3-fluoro-2-[(3S)-pyrrolidin-3-yl]oxypyridine
CID 94573941
6-fluoro-7-methoxy-4-(pyrrolidin-3-ylmethoxy)quinoline
CID 157040753

Frequently Asked Questions

What is the IUPAC name of N-[(7-fluoroquinoxalin-6-yl)methyl]-5-methoxy-4-[(3R)-pyrrolidin-3-yl]oxypyridin-3-amine?
The IUPAC name of N-[(7-fluoroquinoxalin-6-yl)methyl]-5-methoxy-4-[(3R)-pyrrolidin-3-yl]oxypyridin-3-amine (CID 168937285) is N-[(7-fluoroquinoxalin-6-yl)methyl]-5-methoxy-4-[(3R)-pyrrolidin-3-yl]oxypyridin-3-amine.
What is the SMILES notation for N-[(7-fluoroquinoxalin-6-yl)methyl]-5-methoxy-4-[(3R)-pyrrolidin-3-yl]oxypyridin-3-amine?
The canonical SMILES for N-[(7-fluoroquinoxalin-6-yl)methyl]-5-methoxy-4-[(3R)-pyrrolidin-3-yl]oxypyridin-3-amine is COc1cncc(NCc2cc3nccnc3cc2F)c1O[C@@H]1CCNC1.
What is the InChIKey of N-[(7-fluoroquinoxalin-6-yl)methyl]-5-methoxy-4-[(3R)-pyrrolidin-3-yl]oxypyridin-3-amine?
The InChIKey is XKZVLJVSDDNPEG-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H20FN5O2/c1-26-18-11-22-10-17(19(18)27-13-2-3-21-9-13)25-8-12-6-15-16(7-14(12)20)24-5-4-23-15/h4-7,10-11,13,21,25H,2-3,8-9H2,1H3/t13-/m1/s1.
What are the key properties of N-[(7-fluoroquinoxalin-6-yl)methyl]-5-methoxy-4-[(3R)-pyrrolidin-3-yl]oxypyridin-3-amine?
N-[(7-fluoroquinoxalin-6-yl)methyl]-5-methoxy-4-[(3R)-pyrrolidin-3-yl]oxypyridin-3-amine has a molecular weight of 369.40 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-fluoroquinoxalin-6-yl)methyl]-5-methoxy-4-[(3R)-pyrrolidin-3-yl]oxypyridin-3-amine is sourced from PubChem (CID 168937285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).