4-[[4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-pyridinyl]amino]cyclohexan-1-ol

C25H30N6O2 — CID 155561366

IUPAC4-[[4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-pyridinyl]amino]cyclohexan-1-ol
SMILESCOc1ncc(N2CCc3ncnc(-c4ccnc(NC5CCC(O)CC5)c4)c3C2)cc1C
InChIInChI=1S/C25H30N6O2/c1-16-11-19(13-27-25(16)33-2)31-10-8-22-21(14-31)24(29-15-28-22)17-7-9-26-23(12-17)30-18-3-5-20(32)6-4-18/h7,9,11-13,15,18,20,32H,3-6,8,10,14H2,1-2H3,(H,26,30)
InChIKeyRXKIAMVXRIBVOB-UHFFFAOYSA-N
MW446.56 g/mol
LogP3.53
Rot. Bonds5

About 4-[[4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-pyridinyl]amino]cyclohexan-1-ol

4-[[4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-pyridinyl]amino]cyclohexan-1-ol (PubChem CID 155561366) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 4-[[4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-pyridinyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-pyridinyl]amino]cyclohexan-1-ol
PubChem CID155561366
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name4-[[4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-pyridinyl]amino]cyclohexan-1-ol
SMILESCOc1ncc(N2CCc3ncnc(-c4ccnc(NC5CCC(O)CC5)c4)c3C2)cc1C
InChIInChI=1S/C25H30N6O2/c1-16-11-19(13-27-25(16)33-2)31-10-8-22-21(14-31)24(29-15-28-22)17-7-9-26-23(12-17)30-18-3-5-20(32)6-4-18/h7,9,11-13,15,18,20,32H,3-6,8,10,14H2,1-2H3,(H,26,30)
InChIKeyRXKIAMVXRIBVOB-UHFFFAOYSA-N
XLogP3.53
TPSA96.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-pyridinyl]amino]cyclohexan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-pyridinyl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-pyridinyl]amino]cyclohexan-1-ol (CID 155561366) is 4-[[4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-pyridinyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-pyridinyl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-pyridinyl]amino]cyclohexan-1-ol is COc1ncc(N2CCc3ncnc(-c4ccnc(NC5CCC(O)CC5)c4)c3C2)cc1C.
What is the InChIKey of 4-[[4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-pyridinyl]amino]cyclohexan-1-ol?
The InChIKey is RXKIAMVXRIBVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-16-11-19(13-27-25(16)33-2)31-10-8-22-21(14-31)24(29-15-28-22)17-7-9-26-23(12-17)30-18-3-5-20(32)6-4-18/h7,9,11-13,15,18,20,32H,3-6,8,10,14H2,1-2H3,(H,26,30).
What are the key properties of 4-[[4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-pyridinyl]amino]cyclohexan-1-ol?
4-[[4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-pyridinyl]amino]cyclohexan-1-ol has a molecular weight of 446.56 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[6-(6-methoxy-5-methyl-3-pyridinyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]-2-pyridinyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 155561366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).