5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-[2-(2-methylpropyl)morpholin-4-yl]pyrimidin-4-yl]-3-methyl-2-pyridin-2-ylquinolin-4-amine

C33H33F2N7O2 — CID 123216384

IUPAC5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-[2-(2-methylpropyl)morpholin-4-yl]pyrimidin-4-yl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCOc1cncc(-c2cnc(N3CCOC(CC(C)C)C3)nc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)c1
InChIInChI=1S/C33H33F2N7O2/c1-19(2)11-24-18-42(9-10-44-24)33-38-17-25(21-12-23(43-4)16-36-15-21)32(41-33)40-31-20(3)30(27-7-5-6-8-37-27)39-28-14-22(34)13-26(35)29(28)31/h5-8,12-17,19,24H,9-11,18H2,1-4H3,(H,38,39,40,41)
InChIKeyNGOUWTUYFYTIMV-UHFFFAOYSA-N
MW597.67 g/mol
LogP6.74
Rot. Bonds8

About 5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-[2-(2-methylpropyl)morpholin-4-yl]pyrimidin-4-yl]-3-methyl-2-pyridin-2-ylquinolin-4-amine

5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-[2-(2-methylpropyl)morpholin-4-yl]pyrimidin-4-yl]-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 123216384) has the molecular formula C33H33F2N7O2 and a molecular weight of 597.67 g/mol. Its IUPAC name is 5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-[2-(2-methylpropyl)morpholin-4-yl]pyrimidin-4-yl]-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound Name5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-[2-(2-methylpropyl)morpholin-4-yl]pyrimidin-4-yl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
PubChem CID123216384
Molecular FormulaC33H33F2N7O2
Molecular Weight597.67 g/mol
Exact Mass597.27
IUPAC Name5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-[2-(2-methylpropyl)morpholin-4-yl]pyrimidin-4-yl]-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCOc1cncc(-c2cnc(N3CCOC(CC(C)C)C3)nc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)c1
InChIInChI=1S/C33H33F2N7O2/c1-19(2)11-24-18-42(9-10-44-24)33-38-17-25(21-12-23(43-4)16-36-15-21)32(41-33)40-31-20(3)30(27-7-5-6-8-37-27)39-28-14-22(34)13-26(35)29(28)31/h5-8,12-17,19,24H,9-11,18H2,1-4H3,(H,38,39,40,41)
InChIKeyNGOUWTUYFYTIMV-UHFFFAOYSA-N
XLogP6.74
TPSA98.18 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.67
LogP ≤ 56.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-[2-(2-methylpropyl)morpholin-4-yl]pyrimidin-4-yl]-3-methyl-2-pyridin-2-ylquinolin-4-amine with MolForge

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Related Compounds

Inixaciclib
CID 139390026
N(2)-[3-methoxy-4-(morpholin-4-yl)phenyl]-N(4)-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 10202829
6-[[[1-[2-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 10256734
2-[4-(2-Methyl-5-pyridin-4-yl-pyrimidin-4-yl)-phenoxymethyl]-quinoline
CID 11495114
N-(3-phenylpropyl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine
CID 117967861
4-([1,1'-Biphenyl]-4-ylmethylamino)-7-((1-(2-(quinolin-4-ylamino)ethyl) piperidin-4-yl)methoxy)quinazoline
CID 117968550
4-Aminoquinazoline derivative, 6a
CID 50898518
4-Quinazolinamine, N-(5-methoxy-2-pyridinyl)-N,2-dimethyl-
CID 11666313
2-(5-methoxy-3-pyridinyl)-5-phenyl-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 68204905
N-[1-(2-methoxy-4-pyridinyl)piperidin-4-yl]-8-(2-methylphenyl)-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118049905
8-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[1-(2-methoxypyridin-4-yl)piperidin-4-yl]-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 118055008
6-Fluoro-4-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]quinazoline
CID 127044078

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-[2-(2-methylpropyl)morpholin-4-yl]pyrimidin-4-yl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of 5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-[2-(2-methylpropyl)morpholin-4-yl]pyrimidin-4-yl]-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 123216384) is 5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-[2-(2-methylpropyl)morpholin-4-yl]pyrimidin-4-yl]-3-methyl-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for 5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-[2-(2-methylpropyl)morpholin-4-yl]pyrimidin-4-yl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for 5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-[2-(2-methylpropyl)morpholin-4-yl]pyrimidin-4-yl]-3-methyl-2-pyridin-2-ylquinolin-4-amine is COc1cncc(-c2cnc(N3CCOC(CC(C)C)C3)nc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)c1.
What is the InChIKey of 5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-[2-(2-methylpropyl)morpholin-4-yl]pyrimidin-4-yl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is NGOUWTUYFYTIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33F2N7O2/c1-19(2)11-24-18-42(9-10-44-24)33-38-17-25(21-12-23(43-4)16-36-15-21)32(41-33)40-31-20(3)30(27-7-5-6-8-37-27)39-28-14-22(34)13-26(35)29(28)31/h5-8,12-17,19,24H,9-11,18H2,1-4H3,(H,38,39,40,41).
What are the key properties of 5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-[2-(2-methylpropyl)morpholin-4-yl]pyrimidin-4-yl]-3-methyl-2-pyridin-2-ylquinolin-4-amine?
5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-[2-(2-methylpropyl)morpholin-4-yl]pyrimidin-4-yl]-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 597.67 g/mol, XLogP of 6.74, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-N-[5-(5-methoxy-3-pyridinyl)-2-[2-(2-methylpropyl)morpholin-4-yl]pyrimidin-4-yl]-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 123216384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).