2-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol

C28H34N6O2 — CID 53378155

IUPAC2-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol
SMILESCC(C)(O)C1CCN(Cc2ccc3nc(-c4cccc5[nH]ccc45)nc(N4CCOCC4)c3n2)CC1
InChIInChI=1S/C28H34N6O2/c1-28(2,35)19-9-12-33(13-10-19)18-20-6-7-24-25(30-20)27(34-14-16-36-17-15-34)32-26(31-24)22-4-3-5-23-21(22)8-11-29-23/h3-8,11,19,29,35H,9-10,12-18H2,1-2H3
InChIKeyJBTVGJQDISQGLZ-UHFFFAOYSA-N
MW486.62 g/mol
LogP3.99
Rot. Bonds5

About 2-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol

2-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol (PubChem CID 53378155) has the molecular formula C28H34N6O2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 2-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol
PubChem CID53378155
Molecular FormulaC28H34N6O2
Molecular Weight486.62 g/mol
Exact Mass486.27
IUPAC Name2-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol
SMILESCC(C)(O)C1CCN(Cc2ccc3nc(-c4cccc5[nH]ccc45)nc(N4CCOCC4)c3n2)CC1
InChIInChI=1S/C28H34N6O2/c1-28(2,35)19-9-12-33(13-10-19)18-20-6-7-24-25(30-20)27(34-14-16-36-17-15-34)32-26(31-24)22-4-3-5-23-21(22)8-11-29-23/h3-8,11,19,29,35H,9-10,12-18H2,1-2H3
InChIKeyJBTVGJQDISQGLZ-UHFFFAOYSA-N
XLogP3.99
TPSA90.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol (CID 53378155) is 2-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol is CC(C)(O)C1CCN(Cc2ccc3nc(-c4cccc5[nH]ccc45)nc(N4CCOCC4)c3n2)CC1.
What is the InChIKey of 2-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol?
The InChIKey is JBTVGJQDISQGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O2/c1-28(2,35)19-9-12-33(13-10-19)18-20-6-7-24-25(30-20)27(34-14-16-36-17-15-34)32-26(31-24)22-4-3-5-23-21(22)8-11-29-23/h3-8,11,19,29,35H,9-10,12-18H2,1-2H3.
What are the key properties of 2-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol?
2-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol has a molecular weight of 486.62 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(1H-indol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol is sourced from PubChem (CID 53378155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).