N,N-dimethyl-7-(2-methylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(morpholine-4-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(piperazine-1-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(piperidine-1-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

C99H97N17O9 — CID 160596997

IUPACN,N-dimethyl-7-(2-methylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(morpholine-4-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(piperazine-1-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(piperidine-1-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCc1ccc(-c2nc(C(=O)N(C)C)c3c(n2)N(c2ccccc2C)C(=O)C3)cc1.Cc1ccc(-c2nc(C(=O)N3CCCCC3)c3c(n2)N(c2ccccc2C)C(=O)C3)cc1.Cc1ccc(-c2nc(C(=O)N3CCNCC3)c3c(n2)N(c2ccccc2C)C(=O)C3)cc1.Cc1ccc(-c2nc(C(=O)N3CCOCC3)c3c(n2)N(c2ccccc2C)C(=O)C3)cc1
InChIInChI=1S/C26H26N4O2.C25H25N5O2.C25H24N4O3.C23H22N4O2/c1-17-10-12-19(13-11-17)24-27-23(26(32)29-14-6-3-7-15-29)20-16-22(31)30(25(20)28-24)21-9-5-4-8-18(21)2;1-16-7-9-18(10-8-16)23-27-22(25(32)29-13-11-26-12-14-29)19-15-21(31)30(24(19)28-23)20-6-4-3-5-17(20)2;1-16-7-9-18(10-8-16)23-26-22(25(31)28-11-13-32-14-12-28)19-15-21(30)29(24(19)27-23)20-6-4-3-5-17(20)2;1-14-9-11-16(12-10-14)21-24-20(23(29)26(3)4)17-13-19(28)27(22(17)25-21)18-8-6-5-7-15(18)2/h4-5,8-13H,3,6-7,14-16H2,1-2H3;3-10,26H,11-15H2,1-2H3;3-10H,11-15H2,1-2H3;5-12H,13H2,1-4H3
InChIKeyRDTMJWALTOLKPE-UHFFFAOYSA-N
MW1668.97 g/mol
LogP14.77
Rot. Bonds12

About N,N-dimethyl-7-(2-methylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(morpholine-4-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(piperazine-1-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(piperidine-1-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one

N,N-dimethyl-7-(2-methylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(morpholine-4-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(piperazine-1-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(piperidine-1-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 160596997) has the molecular formula C99H97N17O9 and a molecular weight of 1668.97 g/mol. Its IUPAC name is N,N-dimethyl-7-(2-methylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(morpholine-4-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(piperazine-1-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(piperidine-1-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound NameN,N-dimethyl-7-(2-methylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(morpholine-4-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(piperazine-1-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(piperidine-1-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID160596997
Molecular FormulaC99H97N17O9
Molecular Weight1668.97 g/mol
Exact Mass1667.77
IUPAC NameN,N-dimethyl-7-(2-methylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(morpholine-4-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(piperazine-1-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(piperidine-1-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCc1ccc(-c2nc(C(=O)N(C)C)c3c(n2)N(c2ccccc2C)C(=O)C3)cc1.Cc1ccc(-c2nc(C(=O)N3CCCCC3)c3c(n2)N(c2ccccc2C)C(=O)C3)cc1.Cc1ccc(-c2nc(C(=O)N3CCNCC3)c3c(n2)N(c2ccccc2C)C(=O)C3)cc1.Cc1ccc(-c2nc(C(=O)N3CCOCC3)c3c(n2)N(c2ccccc2C)C(=O)C3)cc1
InChIInChI=1S/C26H26N4O2.C25H25N5O2.C25H24N4O3.C23H22N4O2/c1-17-10-12-19(13-11-17)24-27-23(26(32)29-14-6-3-7-15-29)20-16-22(31)30(25(20)28-24)21-9-5-4-8-18(21)2;1-16-7-9-18(10-8-16)23-27-22(25(32)29-13-11-26-12-14-29)19-15-21(31)30(24(19)28-23)20-6-4-3-5-17(20)2;1-16-7-9-18(10-8-16)23-26-22(25(31)28-11-13-32-14-12-28)19-15-21(30)29(24(19)27-23)20-6-4-3-5-17(20)2;1-14-9-11-16(12-10-14)21-24-20(23(29)26(3)4)17-13-19(28)27(22(17)25-21)18-8-6-5-7-15(18)2/h4-5,8-13H,3,6-7,14-16H2,1-2H3;3-10,26H,11-15H2,1-2H3;3-10H,11-15H2,1-2H3;5-12H,13H2,1-4H3
InChIKeyRDTMJWALTOLKPE-UHFFFAOYSA-N
XLogP14.77
TPSA286.86 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001668.97
LogP ≤ 514.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Analyze N,N-dimethyl-7-(2-methylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(morpholine-4-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(piperazine-1-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(piperidine-1-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one with MolForge

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Related Compounds

1,4-diazepan-1-yl-[5-(4-methylphenyl)-1,3-oxazol-4-yl]methanone
CID 119416396
1,4-diazepan-1-yl-[5-(4-methylphenyl)-1,3-oxazol-4-yl]methanone;dihydrochloride
CID 119416395
azepan-1-yl-(2-phenylquinazolin-4-yl)methanone
CID 13336375
[6-(azepan-1-yl)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853497
[1-(2-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]-morpholin-4-ylmethanone
CID 50745622
4-[[4-(2-methylphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-morpholin-4-ylbutan-1-one
CID 42730859
1,4-diazepan-1-yl-(2-morpholin-4-ylsulfonylphenyl)methanone
CID 119417300
[6-(2-methylanilino)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853499
[(2R)-4-(4-methylbenzoyl)-2,3-dihydro-1,4-benzoxazin-2-yl]-morpholin-4-ylmethanone
CID 9246660
2-(4-methylphenyl)-4-piperazin-1-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 66525353
[3-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone
CID 53205049
1-(2-methylphenyl)-4-(piperazine-1-carbonyl)pyrrolidin-2-one;hydrate;hydrochloride
CID 21128885

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-7-(2-methylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(morpholine-4-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(piperazine-1-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(piperidine-1-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of N,N-dimethyl-7-(2-methylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(morpholine-4-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(piperazine-1-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(piperidine-1-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 160596997) is N,N-dimethyl-7-(2-methylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(morpholine-4-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(piperazine-1-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(piperidine-1-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for N,N-dimethyl-7-(2-methylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(morpholine-4-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(piperazine-1-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(piperidine-1-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for N,N-dimethyl-7-(2-methylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(morpholine-4-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(piperazine-1-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(piperidine-1-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is Cc1ccc(-c2nc(C(=O)N(C)C)c3c(n2)N(c2ccccc2C)C(=O)C3)cc1.Cc1ccc(-c2nc(C(=O)N3CCCCC3)c3c(n2)N(c2ccccc2C)C(=O)C3)cc1.Cc1ccc(-c2nc(C(=O)N3CCNCC3)c3c(n2)N(c2ccccc2C)C(=O)C3)cc1.Cc1ccc(-c2nc(C(=O)N3CCOCC3)c3c(n2)N(c2ccccc2C)C(=O)C3)cc1.
What is the InChIKey of N,N-dimethyl-7-(2-methylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(morpholine-4-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(piperazine-1-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(piperidine-1-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is RDTMJWALTOLKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2.C25H25N5O2.C25H24N4O3.C23H22N4O2/c1-17-10-12-19(13-11-17)24-27-23(26(32)29-14-6-3-7-15-29)20-16-22(31)30(25(20)28-24)21-9-5-4-8-18(21)2;1-16-7-9-18(10-8-16)23-27-22(25(32)29-13-11-26-12-14-29)19-15-21(31)30(24(19)28-23)20-6-4-3-5-17(20)2;1-16-7-9-18(10-8-16)23-26-22(25(31)28-11-13-32-14-12-28)19-15-21(30)29(24(19)27-23)20-6-4-3-5-17(20)2;1-14-9-11-16(12-10-14)21-24-20(23(29)26(3)4)17-13-19(28)27(22(17)25-21)18-8-6-5-7-15(18)2/h4-5,8-13H,3,6-7,14-16H2,1-2H3;3-10,26H,11-15H2,1-2H3;3-10H,11-15H2,1-2H3;5-12H,13H2,1-4H3.
What are the key properties of N,N-dimethyl-7-(2-methylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(morpholine-4-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(piperazine-1-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(piperidine-1-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one?
N,N-dimethyl-7-(2-methylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(morpholine-4-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(piperazine-1-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(piperidine-1-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 1668.97 g/mol, XLogP of 14.77, 12 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-7-(2-methylphenyl)-2-(4-methylphenyl)-6-oxo-5H-pyrrolo[2,3-d]pyrimidine-4-carboxamide;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(morpholine-4-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(piperazine-1-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-(2-methylphenyl)-2-(4-methylphenyl)-4-(piperidine-1-carbonyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 160596997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).