2-[1-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol

C24H34N8O2 — CID 53378052

IUPAC2-[1-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol
SMILESCc1cc(Nc2nc(N3CCOCC3)c3nc(CN4CCC(C(C)(C)O)CC4)ccc3n2)n[nH]1
InChIInChI=1S/C24H34N8O2/c1-16-14-20(30-29-16)27-23-26-19-5-4-18(15-31-8-6-17(7-9-31)24(2,3)33)25-21(19)22(28-23)32-10-12-34-13-11-32/h4-5,14,17,33H,6-13,15H2,1-3H3,(H2,26,27,28,29,30)
InChIKeyZUSDXWOYELQSNL-UHFFFAOYSA-N
MW466.59 g/mol
LogP2.62
Rot. Bonds6

About 2-[1-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol

2-[1-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol (PubChem CID 53378052) has the molecular formula C24H34N8O2 and a molecular weight of 466.59 g/mol. Its IUPAC name is 2-[1-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol
PubChem CID53378052
Molecular FormulaC24H34N8O2
Molecular Weight466.59 g/mol
Exact Mass466.28
IUPAC Name2-[1-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol
SMILESCc1cc(Nc2nc(N3CCOCC3)c3nc(CN4CCC(C(C)(C)O)CC4)ccc3n2)n[nH]1
InChIInChI=1S/C24H34N8O2/c1-16-14-20(30-29-16)27-23-26-19-5-4-18(15-31-8-6-17(7-9-31)24(2,3)33)25-21(19)22(28-23)32-10-12-34-13-11-32/h4-5,14,17,33H,6-13,15H2,1-3H3,(H2,26,27,28,29,30)
InChIKeyZUSDXWOYELQSNL-UHFFFAOYSA-N
XLogP2.62
TPSA115.32 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[1-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol (CID 53378052) is 2-[1-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]-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-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol is Cc1cc(Nc2nc(N3CCOCC3)c3nc(CN4CCC(C(C)(C)O)CC4)ccc3n2)n[nH]1.
What is the InChIKey of 2-[1-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol?
The InChIKey is ZUSDXWOYELQSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N8O2/c1-16-14-20(30-29-16)27-23-26-19-5-4-18(15-31-8-6-17(7-9-31)24(2,3)33)25-21(19)22(28-23)32-10-12-34-13-11-32/h4-5,14,17,33H,6-13,15H2,1-3H3,(H2,26,27,28,29,30).
What are the key properties of 2-[1-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol?
2-[1-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol has a molecular weight of 466.59 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol is sourced from PubChem (CID 53378052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).