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

C26H32N6O4 — CID 57441915

IUPAC4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxy-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cc1OC
InChIInChI=1S/C26H32N6O4/c1-16-14-35-11-9-31(16)24-20-7-8-21(18-5-6-19(25(33)27-3)22(13-18)34-4)28-23(20)29-26(30-24)32-10-12-36-15-17(32)2/h5-8,13,16-17H,9-12,14-15H2,1-4H3,(H,27,33)/t16-,17-/m0/s1
InChIKeyXKJHKNUPANXIAI-IRXDYDNUSA-N
MW492.58 g/mol
LogP2.51
Rot. Bonds5

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

4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxy-N-methylbenzamide (PubChem CID 57441915) has the molecular formula C26H32N6O4 and a molecular weight of 492.58 g/mol. Its IUPAC name is 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxy-N-methylbenzamide
PubChem CID57441915
Molecular FormulaC26H32N6O4
Molecular Weight492.58 g/mol
Exact Mass492.25
IUPAC Name4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxy-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cc1OC
InChIInChI=1S/C26H32N6O4/c1-16-14-35-11-9-31(16)24-20-7-8-21(18-5-6-19(25(33)27-3)22(13-18)34-4)28-23(20)29-26(30-24)32-10-12-36-15-17(32)2/h5-8,13,16-17H,9-12,14-15H2,1-4H3,(H,27,33)/t16-,17-/m0/s1
InChIKeyXKJHKNUPANXIAI-IRXDYDNUSA-N
XLogP2.51
TPSA101.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxy-N-methylbenzamide?
The IUPAC name of 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxy-N-methylbenzamide (CID 57441915) is 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxy-N-methylbenzamide.
What is the SMILES notation for 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxy-N-methylbenzamide?
The canonical SMILES for 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxy-N-methylbenzamide is CNC(=O)c1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cc1OC.
What is the InChIKey of 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxy-N-methylbenzamide?
The InChIKey is XKJHKNUPANXIAI-IRXDYDNUSA-N. The full InChI is InChI=1S/C26H32N6O4/c1-16-14-35-11-9-31(16)24-20-7-8-21(18-5-6-19(25(33)27-3)22(13-18)34-4)28-23(20)29-26(30-24)32-10-12-36-15-17(32)2/h5-8,13,16-17H,9-12,14-15H2,1-4H3,(H,27,33)/t16-,17-/m0/s1.
What are the key properties of 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxy-N-methylbenzamide?
4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxy-N-methylbenzamide has a molecular weight of 492.58 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-methoxy-N-methylbenzamide is sourced from PubChem (CID 57441915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).