6-[4-[4-[(3S)-3-methylmorpholin-4-yl]spiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]-2-yl]anilino]-1H-pyridin-2-one

C25H27N5O3 — CID 59634463

IUPAC6-[4-[4-[(3S)-3-methylmorpholin-4-yl]spiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]-2-yl]anilino]-1H-pyridin-2-one
SMILESC[C@H]1COCCN1c1nc(-c2ccc(Nc3cccc(=O)[nH]3)cc2)nc2c1CCC1(CC1)O2
InChIInChI=1S/C25H27N5O3/c1-16-15-32-14-13-30(16)23-19-9-10-25(11-12-25)33-24(19)29-22(28-23)17-5-7-18(8-6-17)26-20-3-2-4-21(31)27-20/h2-8,16H,9-15H2,1H3,(H2,26,27,31)/t16-/m0/s1
InChIKeyGPPCRGZFVLQIER-INIZCTEOSA-N
MW445.52 g/mol
LogP3.66
Rot. Bonds4

About 6-[4-[4-[(3S)-3-methylmorpholin-4-yl]spiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]-2-yl]anilino]-1H-pyridin-2-one

6-[4-[4-[(3S)-3-methylmorpholin-4-yl]spiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]-2-yl]anilino]-1H-pyridin-2-one (PubChem CID 59634463) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is 6-[4-[4-[(3S)-3-methylmorpholin-4-yl]spiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]-2-yl]anilino]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[4-[4-[(3S)-3-methylmorpholin-4-yl]spiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]-2-yl]anilino]-1H-pyridin-2-one
PubChem CID59634463
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name6-[4-[4-[(3S)-3-methylmorpholin-4-yl]spiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]-2-yl]anilino]-1H-pyridin-2-one
SMILESC[C@H]1COCCN1c1nc(-c2ccc(Nc3cccc(=O)[nH]3)cc2)nc2c1CCC1(CC1)O2
InChIInChI=1S/C25H27N5O3/c1-16-15-32-14-13-30(16)23-19-9-10-25(11-12-25)33-24(19)29-22(28-23)17-5-7-18(8-6-17)26-20-3-2-4-21(31)27-20/h2-8,16H,9-15H2,1H3,(H2,26,27,31)/t16-/m0/s1
InChIKeyGPPCRGZFVLQIER-INIZCTEOSA-N
XLogP3.66
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[4-[4-[(3S)-3-methylmorpholin-4-yl]spiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]-2-yl]anilino]-1H-pyridin-2-one with MolForge

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Related Compounds

6-[4-[(10aR)-4-[(3S)-3-methylmorpholin-4-yl]-5,6,8,9,10,10a-hexahydropyrimido[5,4-g]indolizin-2-yl]anilino]-1H-pyridin-2-one
CID 67178347
6-[4-[7-acetyl-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]anilino]-1H-pyridin-2-one
CID 67176821
6-[4-[7-(2-methoxyethyl)-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]anilino]-1H-pyridin-2-one
CID 67177758
6-[[5-[7-methyl-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]amino]-1H-pyridin-2-one
CID 67177752
6-[[5-[7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-2-pyridinyl]amino]-1H-pyridin-2-one
CID 67177749
6-[4-[7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]anilino]-1H-pyridin-2-one;N-[4-[7-methyl-4-[(3S)-3-methylmorpholin-4-yl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine;N-[4-[4-[(3S)-3-methylmorpholin-4-yl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl]phenyl]-6-phenylmethoxypyridin-2-amine
CID 158229217
4-[4-[(3S)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]aniline
CID 59634543
6-[4-[7-benzyl-4-(3-methylmorpholin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]anilino]-3-methyl-1H-pyrimidine-2,4-dione
CID 67179166
1-[4-[4-[(3S)-3-methylmorpholin-4-yl]-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-2-yl]phenyl]-3-(1-methylpyrazol-3-yl)urea
CID 59634519
tert-butyl 4-[(3S)-3-methylmorpholin-4-yl]-2-[4-[(6-oxo-1H-pyrimidin-2-yl)amino]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 59239397
1-cyclobutyl-3-[4-[4-(3-methylmorpholin-4-yl)-5,6,7,8-tetrahydroquinazolin-2-yl]phenyl]urea
CID 77453133
6-[4-(10-morpholin-4-yl-3,6,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-12-yl)anilino]-1H-pyridin-2-one
CID 143935907

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-[(3S)-3-methylmorpholin-4-yl]spiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]-2-yl]anilino]-1H-pyridin-2-one?
The IUPAC name of 6-[4-[4-[(3S)-3-methylmorpholin-4-yl]spiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]-2-yl]anilino]-1H-pyridin-2-one (CID 59634463) is 6-[4-[4-[(3S)-3-methylmorpholin-4-yl]spiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]-2-yl]anilino]-1H-pyridin-2-one.
What is the SMILES notation for 6-[4-[4-[(3S)-3-methylmorpholin-4-yl]spiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]-2-yl]anilino]-1H-pyridin-2-one?
The canonical SMILES for 6-[4-[4-[(3S)-3-methylmorpholin-4-yl]spiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]-2-yl]anilino]-1H-pyridin-2-one is C[C@H]1COCCN1c1nc(-c2ccc(Nc3cccc(=O)[nH]3)cc2)nc2c1CCC1(CC1)O2.
What is the InChIKey of 6-[4-[4-[(3S)-3-methylmorpholin-4-yl]spiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]-2-yl]anilino]-1H-pyridin-2-one?
The InChIKey is GPPCRGZFVLQIER-INIZCTEOSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-16-15-32-14-13-30(16)23-19-9-10-25(11-12-25)33-24(19)29-22(28-23)17-5-7-18(8-6-17)26-20-3-2-4-21(31)27-20/h2-8,16H,9-15H2,1H3,(H2,26,27,31)/t16-/m0/s1.
What are the key properties of 6-[4-[4-[(3S)-3-methylmorpholin-4-yl]spiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]-2-yl]anilino]-1H-pyridin-2-one?
6-[4-[4-[(3S)-3-methylmorpholin-4-yl]spiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]-2-yl]anilino]-1H-pyridin-2-one has a molecular weight of 445.52 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-[(3S)-3-methylmorpholin-4-yl]spiro[5,6-dihydropyrano[2,3-d]pyrimidine-7,1'-cyclopropane]-2-yl]anilino]-1H-pyridin-2-one is sourced from PubChem (CID 59634463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).