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

C27H34N7O2+ — CID 78225543

IUPAC2-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-1-ium-4-yl]propan-2-ol
SMILESCC(C)(O)C1CC[NH+](Cc2ccc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3n2)CC1
InChIInChI=1S/C27H33N7O2/c1-27(2,35)18-8-10-33(11-9-18)17-19-6-7-23-24(29-19)26(34-12-14-36-15-13-34)31-25(30-23)20-4-3-5-22-21(20)16-28-32-22/h3-7,16,18,35H,8-15,17H2,1-2H3,(H,28,32)/p+1
InChIKeyYEOXTSXBPMKEQR-UHFFFAOYSA-O
MW488.62 g/mol
LogP1.97
Rot. Bonds5

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

2-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-1-ium-4-yl]propan-2-ol (PubChem CID 78225543) has the molecular formula C27H34N7O2+ and a molecular weight of 488.62 g/mol. Its IUPAC name is 2-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-1-ium-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-1-ium-4-yl]propan-2-ol
PubChem CID78225543
Molecular FormulaC27H34N7O2+
Molecular Weight488.62 g/mol
Exact Mass488.28
IUPAC Name2-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-1-ium-4-yl]propan-2-ol
SMILESCC(C)(O)C1CC[NH+](Cc2ccc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3n2)CC1
InChIInChI=1S/C27H33N7O2/c1-27(2,35)18-8-10-33(11-9-18)17-19-6-7-23-24(29-19)26(34-12-14-36-15-13-34)31-25(30-23)20-4-3-5-22-21(20)16-28-32-22/h3-7,16,18,35H,8-15,17H2,1-2H3,(H,28,32)/p+1
InChIKeyYEOXTSXBPMKEQR-UHFFFAOYSA-O
XLogP1.97
TPSA104.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.62
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-1-ium-4-yl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-1-ium-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-1-ium-4-yl]propan-2-ol (CID 78225543) is 2-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-1-ium-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-1-ium-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-1-ium-4-yl]propan-2-ol is CC(C)(O)C1CC[NH+](Cc2ccc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3n2)CC1.
What is the InChIKey of 2-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-1-ium-4-yl]propan-2-ol?
The InChIKey is YEOXTSXBPMKEQR-UHFFFAOYSA-O. The full InChI is InChI=1S/C27H33N7O2/c1-27(2,35)18-8-10-33(11-9-18)17-19-6-7-23-24(29-19)26(34-12-14-36-15-13-34)31-25(30-23)20-4-3-5-22-21(20)16-28-32-22/h3-7,16,18,35H,8-15,17H2,1-2H3,(H,28,32)/p+1.
What are the key properties of 2-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-1-ium-4-yl]propan-2-ol?
2-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-1-ium-4-yl]propan-2-ol has a molecular weight of 488.62 g/mol, XLogP of 1.97, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-1-ium-4-yl]propan-2-ol is sourced from PubChem (CID 78225543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).