5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-propan-2-yloxybenzamide

C27H34N6O4 — CID 57441905

IUPAC5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cc1C(N)=O
InChIInChI=1S/C27H34N6O4/c1-16(2)37-23-8-5-19(13-21(23)24(28)34)22-7-6-20-25(29-22)30-27(33-10-12-36-15-18(33)4)31-26(20)32-9-11-35-14-17(32)3/h5-8,13,16-18H,9-12,14-15H2,1-4H3,(H2,28,34)/t17-,18-/m0/s1
InChIKeyLCDXOYXPZMMFBR-ROUUACIJSA-N
MW506.61 g/mol
LogP3.03
Rot. Bonds6

About 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-propan-2-yloxybenzamide

5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-propan-2-yloxybenzamide (PubChem CID 57441905) 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-propan-2-yloxybenzamide.

Molecular Properties

Compound Name5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-propan-2-yloxybenzamide
PubChem CID57441905
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-propan-2-yloxybenzamide
SMILESCC(C)Oc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cc1C(N)=O
InChIInChI=1S/C27H34N6O4/c1-16(2)37-23-8-5-19(13-21(23)24(28)34)22-7-6-20-25(29-22)30-27(33-10-12-36-15-18(33)4)31-26(20)32-9-11-35-14-17(32)3/h5-8,13,16-18H,9-12,14-15H2,1-4H3,(H2,28,34)/t17-,18-/m0/s1
InChIKeyLCDXOYXPZMMFBR-ROUUACIJSA-N
XLogP3.03
TPSA115.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.61
LogP ≤ 53.03
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-propan-2-yloxybenzamide?
The IUPAC name of 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-propan-2-yloxybenzamide (CID 57441905) is 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-propan-2-yloxybenzamide.
What is the SMILES notation for 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-propan-2-yloxybenzamide?
The canonical SMILES for 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-propan-2-yloxybenzamide is CC(C)Oc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cc1C(N)=O.
What is the InChIKey of 5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-propan-2-yloxybenzamide?
The InChIKey is LCDXOYXPZMMFBR-ROUUACIJSA-N. The full InChI is InChI=1S/C27H34N6O4/c1-16(2)37-23-8-5-19(13-21(23)24(28)34)22-7-6-20-25(29-22)30-27(33-10-12-36-15-18(33)4)31-26(20)32-9-11-35-14-17(32)3/h5-8,13,16-18H,9-12,14-15H2,1-4H3,(H2,28,34)/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-propan-2-yloxybenzamide?
5-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-2-propan-2-yloxybenzamide has a molecular weight of 506.61 g/mol, XLogP of 3.03, 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-propan-2-yloxybenzamide is sourced from PubChem (CID 57441905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).