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

C27H34N6O3 — CID 57441867

IUPAC3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)c1
InChIInChI=1S/C27H34N6O3/c1-17(2)28-26(34)21-7-5-6-20(14-21)23-9-8-22-24(29-23)30-27(33-11-13-36-16-19(33)4)31-25(22)32-10-12-35-15-18(32)3/h5-9,14,17-19H,10-13,15-16H2,1-4H3,(H,28,34)/t18-,19-/m0/s1
InChIKeyTXZNDZJPVNAIIV-OALUTQOASA-N
MW490.61 g/mol
LogP3.28
Rot. Bonds5

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

3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-propan-2-ylbenzamide (PubChem CID 57441867) has the molecular formula C27H34N6O3 and a molecular weight of 490.61 g/mol. Its IUPAC name is 3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-propan-2-ylbenzamide
PubChem CID57441867
Molecular FormulaC27H34N6O3
Molecular Weight490.61 g/mol
Exact Mass490.27
IUPAC Name3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)c1
InChIInChI=1S/C27H34N6O3/c1-17(2)28-26(34)21-7-5-6-20(14-21)23-9-8-22-24(29-23)30-27(33-11-13-36-16-19(33)4)31-25(22)32-10-12-35-15-18(32)3/h5-9,14,17-19H,10-13,15-16H2,1-4H3,(H,28,34)/t18-,19-/m0/s1
InChIKeyTXZNDZJPVNAIIV-OALUTQOASA-N
XLogP3.28
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-propan-2-ylbenzamide (CID 57441867) is 3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)c1.
What is the InChIKey of 3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-propan-2-ylbenzamide?
The InChIKey is TXZNDZJPVNAIIV-OALUTQOASA-N. The full InChI is InChI=1S/C27H34N6O3/c1-17(2)28-26(34)21-7-5-6-20(14-21)23-9-8-22-24(29-23)30-27(33-11-13-36-16-19(33)4)31-25(22)32-10-12-35-15-18(32)3/h5-9,14,17-19H,10-13,15-16H2,1-4H3,(H,28,34)/t18-,19-/m0/s1.
What are the key properties of 3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-propan-2-ylbenzamide?
3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-propan-2-ylbenzamide has a molecular weight of 490.61 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4-bis[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-7-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 57441867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).