N-cyclopropyl-4-methyl-N-[4-methyl-3-(8-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)phenyl]-3-(8-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)benzamide

C36H33N7O3S2 — CID 68801904

IUPACN-cyclopropyl-4-methyl-N-[4-methyl-3-(8-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)phenyl]-3-(8-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)benzamide
SMILESCSc1ncc2cc(-c3cc(C(=O)N(c4ccc(C)c(-c5cc6cnc(SC)nc6n(C)c5=O)c4)C4CC4)ccc3C)c(=O)n(C)c2n1
InChIInChI=1S/C36H33N7O3S2/c1-19-7-9-21(13-26(19)28-14-22-17-37-35(47-5)39-30(22)41(3)33(28)45)32(44)43(24-11-12-24)25-10-8-20(2)27(16-25)29-15-23-18-38-36(48-6)40-31(23)42(4)34(29)46/h7-10,13-18,24H,11-12H2,1-6H3
InChIKeyUQAVJZUOVDXWEC-UHFFFAOYSA-N
MW675.84 g/mol
LogP6.17
Rot. Bonds7

About N-cyclopropyl-4-methyl-N-[4-methyl-3-(8-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)phenyl]-3-(8-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)benzamide

N-cyclopropyl-4-methyl-N-[4-methyl-3-(8-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)phenyl]-3-(8-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)benzamide (PubChem CID 68801904) has the molecular formula C36H33N7O3S2 and a molecular weight of 675.84 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-N-[4-methyl-3-(8-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)phenyl]-3-(8-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-N-[4-methyl-3-(8-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)phenyl]-3-(8-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)benzamide
PubChem CID68801904
Molecular FormulaC36H33N7O3S2
Molecular Weight675.84 g/mol
Exact Mass675.21
IUPAC NameN-cyclopropyl-4-methyl-N-[4-methyl-3-(8-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)phenyl]-3-(8-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)benzamide
SMILESCSc1ncc2cc(-c3cc(C(=O)N(c4ccc(C)c(-c5cc6cnc(SC)nc6n(C)c5=O)c4)C4CC4)ccc3C)c(=O)n(C)c2n1
InChIInChI=1S/C36H33N7O3S2/c1-19-7-9-21(13-26(19)28-14-22-17-37-35(47-5)39-30(22)41(3)33(28)45)32(44)43(24-11-12-24)25-10-8-20(2)27(16-25)29-15-23-18-38-36(48-6)40-31(23)42(4)34(29)46/h7-10,13-18,24H,11-12H2,1-6H3
InChIKeyUQAVJZUOVDXWEC-UHFFFAOYSA-N
XLogP6.17
TPSA115.87 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500675.84
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze N-cyclopropyl-4-methyl-N-[4-methyl-3-(8-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)phenyl]-3-(8-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-N-[4-methyl-3-(8-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)phenyl]-3-(8-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-N-[4-methyl-3-(8-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)phenyl]-3-(8-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)benzamide (CID 68801904) is N-cyclopropyl-4-methyl-N-[4-methyl-3-(8-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)phenyl]-3-(8-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-N-[4-methyl-3-(8-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)phenyl]-3-(8-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-N-[4-methyl-3-(8-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)phenyl]-3-(8-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)benzamide is CSc1ncc2cc(-c3cc(C(=O)N(c4ccc(C)c(-c5cc6cnc(SC)nc6n(C)c5=O)c4)C4CC4)ccc3C)c(=O)n(C)c2n1.
What is the InChIKey of N-cyclopropyl-4-methyl-N-[4-methyl-3-(8-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)phenyl]-3-(8-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)benzamide?
The InChIKey is UQAVJZUOVDXWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33N7O3S2/c1-19-7-9-21(13-26(19)28-14-22-17-37-35(47-5)39-30(22)41(3)33(28)45)32(44)43(24-11-12-24)25-10-8-20(2)27(16-25)29-15-23-18-38-36(48-6)40-31(23)42(4)34(29)46/h7-10,13-18,24H,11-12H2,1-6H3.
What are the key properties of N-cyclopropyl-4-methyl-N-[4-methyl-3-(8-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)phenyl]-3-(8-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)benzamide?
N-cyclopropyl-4-methyl-N-[4-methyl-3-(8-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)phenyl]-3-(8-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)benzamide has a molecular weight of 675.84 g/mol, XLogP of 6.17, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-N-[4-methyl-3-(8-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)phenyl]-3-(8-methyl-2-methylsulfanyl-7-oxopyrido[2,3-d]pyrimidin-6-yl)benzamide is sourced from PubChem (CID 68801904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).