4-[5-piperidin-4-yloxy-2-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol

C21H31N5O2 — CID 155120004

IUPAC4-[5-piperidin-4-yloxy-2-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
SMILESCC(C)Nc1ncc2c(OC3CCNCC3)ncc(C3CCC(O)CC3)c2n1
InChIInChI=1S/C21H31N5O2/c1-13(2)25-21-24-12-18-19(26-21)17(14-3-5-15(27)6-4-14)11-23-20(18)28-16-7-9-22-10-8-16/h11-16,22,27H,3-10H2,1-2H3,(H,24,25,26)
InChIKeyQHTOTKSUTDDBMP-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.99
Rot. Bonds5

About 4-[5-piperidin-4-yloxy-2-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol

4-[5-piperidin-4-yloxy-2-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol (PubChem CID 155120004) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 4-[5-piperidin-4-yloxy-2-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[5-piperidin-4-yloxy-2-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
PubChem CID155120004
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC Name4-[5-piperidin-4-yloxy-2-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
SMILESCC(C)Nc1ncc2c(OC3CCNCC3)ncc(C3CCC(O)CC3)c2n1
InChIInChI=1S/C21H31N5O2/c1-13(2)25-21-24-12-18-19(26-21)17(14-3-5-15(27)6-4-14)11-23-20(18)28-16-7-9-22-10-8-16/h11-16,22,27H,3-10H2,1-2H3,(H,24,25,26)
InChIKeyQHTOTKSUTDDBMP-UHFFFAOYSA-N
XLogP2.99
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[5-piperidin-4-yloxy-2-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol with MolForge

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Related Compounds

4-[2-(cyclohexylamino)-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
CID 137420345
4-[2-[(3-methylcyclobutyl)amino]-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
CID 137419876
methyl 4-[[8-(4-hydroxycyclohexyl)-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-2-yl]amino]benzoate
CID 137420168
4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
CID 155100440
4-[2-[[(2R)-butan-2-yl]amino]-5-(1-methylpiperidin-4-yl)oxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
CID 155120196
4-[2-(cyclohexylmethyl)-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
CID 161077031
4-[5-(1-methylsulfonylpiperidin-4-yl)oxy-2-(pentan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
CID 137420276
4-[5-[1-(2-methoxyethyl)piperidin-4-yl]oxy-2-(pentan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
CID 137419878
N-[3-[8-(4-hydroxycyclohexyl)-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrido[4,3-d]pyrimidin-5-yl]oxycyclobutyl]acetamide
CID 137420302
4-[5-ethoxy-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
CID 137420172
4-[2-[[(2S)-butan-2-yl]amino]-5-(5-hydroxypentoxy)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
CID 155120191
4-[5-[3-(morpholin-4-ylmethyl)cyclobutyl]oxy-2-[[(2S)-4,4,4-trifluorobutan-2-yl]amino]pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
CID 137420267

Frequently Asked Questions

What is the IUPAC name of 4-[5-piperidin-4-yloxy-2-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?
The IUPAC name of 4-[5-piperidin-4-yloxy-2-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol (CID 155120004) is 4-[5-piperidin-4-yloxy-2-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[5-piperidin-4-yloxy-2-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[5-piperidin-4-yloxy-2-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol is CC(C)Nc1ncc2c(OC3CCNCC3)ncc(C3CCC(O)CC3)c2n1.
What is the InChIKey of 4-[5-piperidin-4-yloxy-2-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?
The InChIKey is QHTOTKSUTDDBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-13(2)25-21-24-12-18-19(26-21)17(14-3-5-15(27)6-4-14)11-23-20(18)28-16-7-9-22-10-8-16/h11-16,22,27H,3-10H2,1-2H3,(H,24,25,26).
What are the key properties of 4-[5-piperidin-4-yloxy-2-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?
4-[5-piperidin-4-yloxy-2-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol has a molecular weight of 385.51 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-piperidin-4-yloxy-2-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol is sourced from PubChem (CID 155120004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).