4-[2-(cyclohexylamino)-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol

C24H35N5O2 — CID 137420345

IUPAC4-[2-(cyclohexylamino)-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
SMILESOC1CCC(c2cnc(OC3CCNCC3)c3cnc(NC4CCCCC4)nc23)CC1
InChIInChI=1S/C24H35N5O2/c30-18-8-6-16(7-9-18)20-14-26-23(31-19-10-12-25-13-11-19)21-15-27-24(29-22(20)21)28-17-4-2-1-3-5-17/h14-19,25,30H,1-13H2,(H,27,28,29)
InChIKeyCKOLFCKIXTZPJA-UHFFFAOYSA-N
MW425.58 g/mol
LogP3.92
Rot. Bonds5

About 4-[2-(cyclohexylamino)-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol

4-[2-(cyclohexylamino)-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol (PubChem CID 137420345) has the molecular formula C24H35N5O2 and a molecular weight of 425.58 g/mol. Its IUPAC name is 4-[2-(cyclohexylamino)-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-(cyclohexylamino)-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
PubChem CID137420345
Molecular FormulaC24H35N5O2
Molecular Weight425.58 g/mol
Exact Mass425.28
IUPAC Name4-[2-(cyclohexylamino)-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
SMILESOC1CCC(c2cnc(OC3CCNCC3)c3cnc(NC4CCCCC4)nc23)CC1
InChIInChI=1S/C24H35N5O2/c30-18-8-6-16(7-9-18)20-14-26-23(31-19-10-12-25-13-11-19)21-15-27-24(29-22(20)21)28-17-4-2-1-3-5-17/h14-19,25,30H,1-13H2,(H,27,28,29)
InChIKeyCKOLFCKIXTZPJA-UHFFFAOYSA-N
XLogP3.92
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.58
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[2-(cyclohexylamino)-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol with MolForge

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Related Compounds

4-[2-[(3-methylcyclobutyl)amino]-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
CID 137419876
4-[5-piperidin-4-yloxy-2-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
CID 155120004
4-[2-(cyclohexylmethyl)-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
CID 161077031
methyl 4-[[8-(4-hydroxycyclohexyl)-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-2-yl]amino]benzoate
CID 137420168
8-cyclohexyl-N-[(1S)-3,3-difluorocyclopentyl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine
CID 137420141
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
N-butyl-8-cyclohexyl-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine
CID 142517727
4-[5-(1-methylsulfonylpiperidin-4-yl)oxy-2-(pentan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
CID 137420276
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-[1-(2-methoxyethyl)piperidin-4-yl]oxy-2-(pentan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
CID 137419878
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-[2-(cyclohexylamino)-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?
The IUPAC name of 4-[2-(cyclohexylamino)-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol (CID 137420345) is 4-[2-(cyclohexylamino)-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-(cyclohexylamino)-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[2-(cyclohexylamino)-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol is OC1CCC(c2cnc(OC3CCNCC3)c3cnc(NC4CCCCC4)nc23)CC1.
What is the InChIKey of 4-[2-(cyclohexylamino)-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?
The InChIKey is CKOLFCKIXTZPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N5O2/c30-18-8-6-16(7-9-18)20-14-26-23(31-19-10-12-25-13-11-19)21-15-27-24(29-22(20)21)28-17-4-2-1-3-5-17/h14-19,25,30H,1-13H2,(H,27,28,29).
What are the key properties of 4-[2-(cyclohexylamino)-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?
4-[2-(cyclohexylamino)-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol has a molecular weight of 425.58 g/mol, XLogP of 3.92, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexylamino)-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol is sourced from PubChem (CID 137420345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).