1-[4-[[5-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-4-pyridinyl]amino]-5,7-difluoro-3-methylquinolin-2-yl]piperidin-2-one;tert-butyl N-[5-[4-[[5,7-difluoro-3-methyl-2-(2-oxopiperidin-1-yl)quinolin-4-yl]amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidin-2-yl]carbamate

C61H64F4N16O6 — CID 89485684

IUPAC1-[4-[[5-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-4-pyridinyl]amino]-5,7-difluoro-3-methylquinolin-2-yl]piperidin-2-one;tert-butyl N-[5-[4-[[5,7-difluoro-3-methyl-2-(2-oxopiperidin-1-yl)quinolin-4-yl]amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidin-2-yl]carbamate
SMILESCc1c(N2CCCCC2=O)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1-c1cnc(N)nc1.Cc1c(N2CCCCC2=O)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1-c1cnc(NC(=O)OC(C)(C)C)nc1
InChIInChI=1S/C33H36F2N8O4.C28H28F2N8O2/c1-19-29(28-23(35)13-21(34)14-25(28)40-30(19)43-8-6-5-7-27(43)44)39-24-15-26(42-9-11-46-12-10-42)36-18-22(24)20-16-37-31(38-17-20)41-32(45)47-33(2,3)4;1-16-26(25-20(30)10-18(29)11-22(25)36-27(16)38-5-3-2-4-24(38)39)35-21-12-23(37-6-8-40-9-7-37)32-15-19(21)17-13-33-28(31)34-14-17/h13-18H,5-12H2,1-4H3,(H,36,39,40)(H,37,38,41,45);10-15H,2-9H2,1H3,(H2,31,33,34)(H,32,35,36)
InChIKeyGBFQNGJWDUOYOY-UHFFFAOYSA-N
MW1193.28 g/mol
LogP10.47
Rot. Bonds11

About 1-[4-[[5-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-4-pyridinyl]amino]-5,7-difluoro-3-methylquinolin-2-yl]piperidin-2-one;tert-butyl N-[5-[4-[[5,7-difluoro-3-methyl-2-(2-oxopiperidin-1-yl)quinolin-4-yl]amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidin-2-yl]carbamate

1-[4-[[5-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-4-pyridinyl]amino]-5,7-difluoro-3-methylquinolin-2-yl]piperidin-2-one;tert-butyl N-[5-[4-[[5,7-difluoro-3-methyl-2-(2-oxopiperidin-1-yl)quinolin-4-yl]amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidin-2-yl]carbamate (PubChem CID 89485684) has the molecular formula C61H64F4N16O6 and a molecular weight of 1193.28 g/mol. Its IUPAC name is 1-[4-[[5-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-4-pyridinyl]amino]-5,7-difluoro-3-methylquinolin-2-yl]piperidin-2-one;tert-butyl N-[5-[4-[[5,7-difluoro-3-methyl-2-(2-oxopiperidin-1-yl)quinolin-4-yl]amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidin-2-yl]carbamate.

Molecular Properties

Compound Name1-[4-[[5-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-4-pyridinyl]amino]-5,7-difluoro-3-methylquinolin-2-yl]piperidin-2-one;tert-butyl N-[5-[4-[[5,7-difluoro-3-methyl-2-(2-oxopiperidin-1-yl)quinolin-4-yl]amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidin-2-yl]carbamate
PubChem CID89485684
Molecular FormulaC61H64F4N16O6
Molecular Weight1193.28 g/mol
Exact Mass1192.51
IUPAC Name1-[4-[[5-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-4-pyridinyl]amino]-5,7-difluoro-3-methylquinolin-2-yl]piperidin-2-one;tert-butyl N-[5-[4-[[5,7-difluoro-3-methyl-2-(2-oxopiperidin-1-yl)quinolin-4-yl]amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidin-2-yl]carbamate
SMILESCc1c(N2CCCCC2=O)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1-c1cnc(N)nc1.Cc1c(N2CCCCC2=O)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1-c1cnc(NC(=O)OC(C)(C)C)nc1
InChIInChI=1S/C33H36F2N8O4.C28H28F2N8O2/c1-19-29(28-23(35)13-21(34)14-25(28)40-30(19)43-8-6-5-7-27(43)44)39-24-15-26(42-9-11-46-12-10-42)36-18-22(24)20-16-37-31(38-17-20)41-32(45)47-33(2,3)4;1-16-26(25-20(30)10-18(29)11-22(25)36-27(16)38-5-3-2-4-24(38)39)35-21-12-23(37-6-8-40-9-7-37)32-15-19(21)17-13-33-28(31)34-14-17/h13-18H,5-12H2,1-4H3,(H,36,39,40)(H,37,38,41,45);10-15H,2-9H2,1H3,(H2,31,33,34)(H,32,35,36)
InChIKeyGBFQNGJWDUOYOY-UHFFFAOYSA-N
XLogP10.47
TPSA257.09 Ų
H-Bond Donors4
H-Bond Acceptors19
Rotatable Bonds11
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001193.28
LogP ≤ 510.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1019

Analyze 1-[4-[[5-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-4-pyridinyl]amino]-5,7-difluoro-3-methylquinolin-2-yl]piperidin-2-one;tert-butyl N-[5-[4-[[5,7-difluoro-3-methyl-2-(2-oxopiperidin-1-yl)quinolin-4-yl]amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidin-2-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-4-pyridinyl]amino]-5,7-difluoro-3-methylquinolin-2-yl]piperidin-2-one;tert-butyl N-[5-[4-[[5,7-difluoro-3-methyl-2-(2-oxopiperidin-1-yl)quinolin-4-yl]amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidin-2-yl]carbamate?
The IUPAC name of 1-[4-[[5-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-4-pyridinyl]amino]-5,7-difluoro-3-methylquinolin-2-yl]piperidin-2-one;tert-butyl N-[5-[4-[[5,7-difluoro-3-methyl-2-(2-oxopiperidin-1-yl)quinolin-4-yl]amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidin-2-yl]carbamate (CID 89485684) is 1-[4-[[5-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-4-pyridinyl]amino]-5,7-difluoro-3-methylquinolin-2-yl]piperidin-2-one;tert-butyl N-[5-[4-[[5,7-difluoro-3-methyl-2-(2-oxopiperidin-1-yl)quinolin-4-yl]amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidin-2-yl]carbamate.
What is the SMILES notation for 1-[4-[[5-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-4-pyridinyl]amino]-5,7-difluoro-3-methylquinolin-2-yl]piperidin-2-one;tert-butyl N-[5-[4-[[5,7-difluoro-3-methyl-2-(2-oxopiperidin-1-yl)quinolin-4-yl]amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidin-2-yl]carbamate?
The canonical SMILES for 1-[4-[[5-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-4-pyridinyl]amino]-5,7-difluoro-3-methylquinolin-2-yl]piperidin-2-one;tert-butyl N-[5-[4-[[5,7-difluoro-3-methyl-2-(2-oxopiperidin-1-yl)quinolin-4-yl]amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidin-2-yl]carbamate is Cc1c(N2CCCCC2=O)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1-c1cnc(N)nc1.Cc1c(N2CCCCC2=O)nc2cc(F)cc(F)c2c1Nc1cc(N2CCOCC2)ncc1-c1cnc(NC(=O)OC(C)(C)C)nc1.
What is the InChIKey of 1-[4-[[5-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-4-pyridinyl]amino]-5,7-difluoro-3-methylquinolin-2-yl]piperidin-2-one;tert-butyl N-[5-[4-[[5,7-difluoro-3-methyl-2-(2-oxopiperidin-1-yl)quinolin-4-yl]amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidin-2-yl]carbamate?
The InChIKey is GBFQNGJWDUOYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36F2N8O4.C28H28F2N8O2/c1-19-29(28-23(35)13-21(34)14-25(28)40-30(19)43-8-6-5-7-27(43)44)39-24-15-26(42-9-11-46-12-10-42)36-18-22(24)20-16-37-31(38-17-20)41-32(45)47-33(2,3)4;1-16-26(25-20(30)10-18(29)11-22(25)36-27(16)38-5-3-2-4-24(38)39)35-21-12-23(37-6-8-40-9-7-37)32-15-19(21)17-13-33-28(31)34-14-17/h13-18H,5-12H2,1-4H3,(H,36,39,40)(H,37,38,41,45);10-15H,2-9H2,1H3,(H2,31,33,34)(H,32,35,36).
What are the key properties of 1-[4-[[5-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-4-pyridinyl]amino]-5,7-difluoro-3-methylquinolin-2-yl]piperidin-2-one;tert-butyl N-[5-[4-[[5,7-difluoro-3-methyl-2-(2-oxopiperidin-1-yl)quinolin-4-yl]amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidin-2-yl]carbamate?
1-[4-[[5-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-4-pyridinyl]amino]-5,7-difluoro-3-methylquinolin-2-yl]piperidin-2-one;tert-butyl N-[5-[4-[[5,7-difluoro-3-methyl-2-(2-oxopiperidin-1-yl)quinolin-4-yl]amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidin-2-yl]carbamate has a molecular weight of 1193.28 g/mol, XLogP of 10.47, 11 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-4-pyridinyl]amino]-5,7-difluoro-3-methylquinolin-2-yl]piperidin-2-one;tert-butyl N-[5-[4-[[5,7-difluoro-3-methyl-2-(2-oxopiperidin-1-yl)quinolin-4-yl]amino]-6-morpholin-4-yl-3-pyridinyl]pyrimidin-2-yl]carbamate is sourced from PubChem (CID 89485684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).