5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxy-N,N-dimethylbenzamide

C27H34N6O4 — CID 57441946

IUPAC5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxy-N,N-dimethylbenzamide
SMILESCOc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cc1C(=O)N(C)C
InChIInChI=1S/C27H34N6O4/c1-17-15-36-12-10-32(17)25-20-7-8-22(19-6-9-23(35-5)21(14-19)26(34)31(3)4)28-24(20)29-27(30-25)33-11-13-37-16-18(33)2/h6-9,14,17-18H,10-13,15-16H2,1-5H3/t17-,18-/m0/s1
InChIKeyRCFKHMOMPCIKFL-ROUUACIJSA-N
MW506.61 g/mol
LogP2.85
Rot. Bonds5

About 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxy-N,N-dimethylbenzamide

5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxy-N,N-dimethylbenzamide (PubChem CID 57441946) has the molecular formula C27H34N6O4 and a molecular weight of 506.61 g/mol. Its IUPAC name is 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxy-N,N-dimethylbenzamide
PubChem CID57441946
Molecular FormulaC27H34N6O4
Molecular Weight506.61 g/mol
Exact Mass506.26
IUPAC Name5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxy-N,N-dimethylbenzamide
SMILESCOc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cc1C(=O)N(C)C
InChIInChI=1S/C27H34N6O4/c1-17-15-36-12-10-32(17)25-20-7-8-22(19-6-9-23(35-5)21(14-19)26(34)31(3)4)28-24(20)29-27(30-25)33-11-13-37-16-18(33)2/h6-9,14,17-18H,10-13,15-16H2,1-5H3/t17-,18-/m0/s1
InChIKeyRCFKHMOMPCIKFL-ROUUACIJSA-N
XLogP2.85
TPSA93.15 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.61
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxy-N,N-dimethylbenzamide?
The IUPAC name of 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxy-N,N-dimethylbenzamide (CID 57441946) is 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxy-N,N-dimethylbenzamide.
What is the SMILES notation for 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxy-N,N-dimethylbenzamide?
The canonical SMILES for 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxy-N,N-dimethylbenzamide is COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cc1C(=O)N(C)C.
What is the InChIKey of 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxy-N,N-dimethylbenzamide?
The InChIKey is RCFKHMOMPCIKFL-ROUUACIJSA-N. The full InChI is InChI=1S/C27H34N6O4/c1-17-15-36-12-10-32(17)25-20-7-8-22(19-6-9-23(35-5)21(14-19)26(34)31(3)4)28-24(20)29-27(30-25)33-11-13-37-16-18(33)2/h6-9,14,17-18H,10-13,15-16H2,1-5H3/t17-,18-/m0/s1.
What are the key properties of 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxy-N,N-dimethylbenzamide?
5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxy-N,N-dimethylbenzamide has a molecular weight of 506.61 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxy-N,N-dimethylbenzamide is sourced from PubChem (CID 57441946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).