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

C26H35N7O2 — CID 53379133

IUPAC2-[1-[[2-[2-(methylamino)-3-pyridinyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol
SMILESCNc1ncccc1-c1nc(N2CCOCC2)c2nc(CN3CCC(C(C)(C)O)CC3)ccc2n1
InChIInChI=1S/C26H35N7O2/c1-26(2,34)18-8-11-32(12-9-18)17-19-6-7-21-22(29-19)25(33-13-15-35-16-14-33)31-24(30-21)20-5-4-10-28-23(20)27-3/h4-7,10,18,34H,8-9,11-17H2,1-3H3,(H,27,28)
InChIKeyGINKKCUWIVTPGE-UHFFFAOYSA-N
MW477.61 g/mol
LogP2.95
Rot. Bonds6

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

2-[1-[[2-[2-(methylamino)-3-pyridinyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol (PubChem CID 53379133) has the molecular formula C26H35N7O2 and a molecular weight of 477.61 g/mol. Its IUPAC name is 2-[1-[[2-[2-(methylamino)-3-pyridinyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-[[2-[2-(methylamino)-3-pyridinyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol
PubChem CID53379133
Molecular FormulaC26H35N7O2
Molecular Weight477.61 g/mol
Exact Mass477.29
IUPAC Name2-[1-[[2-[2-(methylamino)-3-pyridinyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol
SMILESCNc1ncccc1-c1nc(N2CCOCC2)c2nc(CN3CCC(C(C)(C)O)CC3)ccc2n1
InChIInChI=1S/C26H35N7O2/c1-26(2,34)18-8-11-32(12-9-18)17-19-6-7-21-22(29-19)25(33-13-15-35-16-14-33)31-24(30-21)20-5-4-10-28-23(20)27-3/h4-7,10,18,34H,8-9,11-17H2,1-3H3,(H,27,28)
InChIKeyGINKKCUWIVTPGE-UHFFFAOYSA-N
XLogP2.95
TPSA99.53 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.61
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[1-[[2-[2-(methylamino)-3-pyridinyl]-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-[2-(methylamino)-3-pyridinyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol?
The IUPAC name of 2-[1-[[2-[2-(methylamino)-3-pyridinyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol (CID 53379133) is 2-[1-[[2-[2-(methylamino)-3-pyridinyl]-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-[2-(methylamino)-3-pyridinyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-[[2-[2-(methylamino)-3-pyridinyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol is CNc1ncccc1-c1nc(N2CCOCC2)c2nc(CN3CCC(C(C)(C)O)CC3)ccc2n1.
What is the InChIKey of 2-[1-[[2-[2-(methylamino)-3-pyridinyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol?
The InChIKey is GINKKCUWIVTPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N7O2/c1-26(2,34)18-8-11-32(12-9-18)17-19-6-7-21-22(29-19)25(33-13-15-35-16-14-33)31-24(30-21)20-5-4-10-28-23(20)27-3/h4-7,10,18,34H,8-9,11-17H2,1-3H3,(H,27,28).
What are the key properties of 2-[1-[[2-[2-(methylamino)-3-pyridinyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol?
2-[1-[[2-[2-(methylamino)-3-pyridinyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol has a molecular weight of 477.61 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-[2-(methylamino)-3-pyridinyl]-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol is sourced from PubChem (CID 53379133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).