5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-N-(5-fluoroquinolin-6-yl)-7-[(3S)-3-methoxypyrrolidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine

C26H30FN7O2 — CID 165120541

IUPAC5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-N-(5-fluoroquinolin-6-yl)-7-[(3S)-3-methoxypyrrolidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine
SMILESCO[C@H]1CCN(c2cc3ncnc(Nc4ccc5ncccc5c4F)c3c(O[C@H](C)CN(C)C)n2)C1
InChIInChI=1S/C26H30FN7O2/c1-16(13-33(2)3)36-26-23-21(12-22(32-26)34-11-9-17(14-34)35-4)29-15-30-25(23)31-20-8-7-19-18(24(20)27)6-5-10-28-19/h5-8,10,12,15-17H,9,11,13-14H2,1-4H3,(H,29,30,31)/t16-,17+/m1/s1
InChIKeyDEKBGOKHCSCRQF-SJORKVTESA-N
MW491.57 g/mol
LogP4.01
Rot. Bonds8

About 5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-N-(5-fluoroquinolin-6-yl)-7-[(3S)-3-methoxypyrrolidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine

5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-N-(5-fluoroquinolin-6-yl)-7-[(3S)-3-methoxypyrrolidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine (PubChem CID 165120541) has the molecular formula C26H30FN7O2 and a molecular weight of 491.57 g/mol. Its IUPAC name is 5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-N-(5-fluoroquinolin-6-yl)-7-[(3S)-3-methoxypyrrolidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-N-(5-fluoroquinolin-6-yl)-7-[(3S)-3-methoxypyrrolidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine
PubChem CID165120541
Molecular FormulaC26H30FN7O2
Molecular Weight491.57 g/mol
Exact Mass491.24
IUPAC Name5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-N-(5-fluoroquinolin-6-yl)-7-[(3S)-3-methoxypyrrolidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine
SMILESCO[C@H]1CCN(c2cc3ncnc(Nc4ccc5ncccc5c4F)c3c(O[C@H](C)CN(C)C)n2)C1
InChIInChI=1S/C26H30FN7O2/c1-16(13-33(2)3)36-26-23-21(12-22(32-26)34-11-9-17(14-34)35-4)29-15-30-25(23)31-20-8-7-19-18(24(20)27)6-5-10-28-19/h5-8,10,12,15-17H,9,11,13-14H2,1-4H3,(H,29,30,31)/t16-,17+/m1/s1
InChIKeyDEKBGOKHCSCRQF-SJORKVTESA-N
XLogP4.01
TPSA88.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-N-(5-fluoroquinolin-6-yl)-7-[(3S)-3-methoxypyrrolidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

2-[(3R)-1-[5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-4-[(5-fluoroquinolin-6-yl)amino]quinazolin-7-yl]pyrrolidin-3-yl]propan-2-ol
CID 165120302
1-[5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-4-[(5-fluoroquinolin-6-yl)amino]quinazolin-7-yl]pyrrolidin-2-one
CID 165120308
5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-N-(5-fluoroquinolin-6-yl)-7-[5-[[[(2R)-2-[4-[(5-fluoroquinolin-6-yl)amino]-7-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)quinazolin-5-yl]oxypropyl]-methylamino]methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]quinazolin-4-amine
CID 165120537
7-bromo-N-(5-fluoroquinolin-6-yl)-5-[(3R)-1-methylpiperidin-3-yl]oxyquinazolin-4-amine
CID 165120430
7-bromo-5-[(2S,3S)-3-(dimethylamino)butan-2-yl]oxy-N-(5-fluoroquinolin-6-yl)quinazolin-4-amine
CID 165120608
7-bromo-N-(5,8-difluoroquinolin-6-yl)-5-[(2R)-1-(dimethylamino)propan-2-yl]oxyquinazolin-4-amine
CID 165120441
5-[(2R,3R)-3-(dimethylamino)butan-2-yl]oxy-N-(5-fluoroquinolin-6-yl)-7-(1-methylpyrazol-4-yl)quinazolin-4-amine
CID 165120699
5-[(3S,4S)-3-fluoro-1-methylpiperidin-4-yl]oxy-N-(5-fluoroquinolin-6-yl)-7-(1-methylpyrazol-4-yl)quinazolin-4-amine
CID 165120402
5-(3-fluoro-1-methylpiperidin-4-yl)oxy-N-(5-fluoroquinolin-6-yl)-7-(1-methylpyrazol-4-yl)quinazolin-4-amine
CID 166592246
N-(5,8-difluoroquinolin-6-yl)-5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-7-(1-methylpyrazol-4-yl)quinazolin-4-amine
CID 165120422
ethane;2-[4-[(5-fluoroquinolin-6-yl)amino]-7-(1-methylpyrazol-4-yl)quinazolin-5-yl]oxy-N,N-dimethylpropanamide
CID 165120415
2-[4-[(5-fluoroquinolin-6-yl)amino]-7-(1-methylpyrazol-4-yl)quinazolin-5-yl]oxycyclobutan-1-ol
CID 165120340

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-N-(5-fluoroquinolin-6-yl)-7-[(3S)-3-methoxypyrrolidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine?
The IUPAC name of 5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-N-(5-fluoroquinolin-6-yl)-7-[(3S)-3-methoxypyrrolidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine (CID 165120541) is 5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-N-(5-fluoroquinolin-6-yl)-7-[(3S)-3-methoxypyrrolidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-N-(5-fluoroquinolin-6-yl)-7-[(3S)-3-methoxypyrrolidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-N-(5-fluoroquinolin-6-yl)-7-[(3S)-3-methoxypyrrolidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine is CO[C@H]1CCN(c2cc3ncnc(Nc4ccc5ncccc5c4F)c3c(O[C@H](C)CN(C)C)n2)C1.
What is the InChIKey of 5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-N-(5-fluoroquinolin-6-yl)-7-[(3S)-3-methoxypyrrolidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine?
The InChIKey is DEKBGOKHCSCRQF-SJORKVTESA-N. The full InChI is InChI=1S/C26H30FN7O2/c1-16(13-33(2)3)36-26-23-21(12-22(32-26)34-11-9-17(14-34)35-4)29-15-30-25(23)31-20-8-7-19-18(24(20)27)6-5-10-28-19/h5-8,10,12,15-17H,9,11,13-14H2,1-4H3,(H,29,30,31)/t16-,17+/m1/s1.
What are the key properties of 5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-N-(5-fluoroquinolin-6-yl)-7-[(3S)-3-methoxypyrrolidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine?
5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-N-(5-fluoroquinolin-6-yl)-7-[(3S)-3-methoxypyrrolidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine has a molecular weight of 491.57 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-1-(dimethylamino)propan-2-yl]oxy-N-(5-fluoroquinolin-6-yl)-7-[(3S)-3-methoxypyrrolidin-1-yl]pyrido[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 165120541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).