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

C26H30F2N6O4 — CID 25262627

IUPAC5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-(difluoromethoxy)-N-methylbenzamide
SMILESCNC(=O)c1cc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)ccc1OC(F)F
InChIInChI=1S/C26H30F2N6O4/c1-15-13-36-10-8-33(15)23-18-5-6-20(17-4-7-21(38-25(27)28)19(12-17)24(35)29-3)30-22(18)31-26(32-23)34-9-11-37-14-16(34)2/h4-7,12,15-16,25H,8-11,13-14H2,1-3H3,(H,29,35)/t15-,16-/m0/s1
InChIKeyPUQKNADZOBNSOT-HOTGVXAUSA-N
MW528.56 g/mol
LogP3.10
Rot. Bonds6

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

5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-(difluoromethoxy)-N-methylbenzamide (PubChem CID 25262627) has the molecular formula C26H30F2N6O4 and a molecular weight of 528.56 g/mol. Its IUPAC name is 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-(difluoromethoxy)-N-methylbenzamide.

Molecular Properties

Compound Name5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-(difluoromethoxy)-N-methylbenzamide
PubChem CID25262627
Molecular FormulaC26H30F2N6O4
Molecular Weight528.56 g/mol
Exact Mass528.23
IUPAC Name5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-(difluoromethoxy)-N-methylbenzamide
SMILESCNC(=O)c1cc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)ccc1OC(F)F
InChIInChI=1S/C26H30F2N6O4/c1-15-13-36-10-8-33(15)23-18-5-6-20(17-4-7-21(38-25(27)28)19(12-17)24(35)29-3)30-22(18)31-26(32-23)34-9-11-37-14-16(34)2/h4-7,12,15-16,25H,8-11,13-14H2,1-3H3,(H,29,35)/t15-,16-/m0/s1
InChIKeyPUQKNADZOBNSOT-HOTGVXAUSA-N
XLogP3.10
TPSA101.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.56
LogP ≤ 53.10
H-Bond Donors ≤ 51
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-(difluoromethoxy)-N-methylbenzamide?
The IUPAC name of 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-(difluoromethoxy)-N-methylbenzamide (CID 25262627) is 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-(difluoromethoxy)-N-methylbenzamide.
What is the SMILES notation for 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-(difluoromethoxy)-N-methylbenzamide?
The canonical SMILES for 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-(difluoromethoxy)-N-methylbenzamide is CNC(=O)c1cc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)ccc1OC(F)F.
What is the InChIKey of 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-(difluoromethoxy)-N-methylbenzamide?
The InChIKey is PUQKNADZOBNSOT-HOTGVXAUSA-N. The full InChI is InChI=1S/C26H30F2N6O4/c1-15-13-36-10-8-33(15)23-18-5-6-20(17-4-7-21(38-25(27)28)19(12-17)24(35)29-3)30-22(18)31-26(32-23)34-9-11-37-14-16(34)2/h4-7,12,15-16,25H,8-11,13-14H2,1-3H3,(H,29,35)/t15-,16-/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-(difluoromethoxy)-N-methylbenzamide?
5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-(difluoromethoxy)-N-methylbenzamide has a molecular weight of 528.56 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 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-(difluoromethoxy)-N-methylbenzamide is sourced from PubChem (CID 25262627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).