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

C23H33N5O2 — CID 137419876

IUPAC4-[2-[(3-methylcyclobutyl)amino]-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
SMILESCC1CC(Nc2ncc3c(OC4CCNCC4)ncc(C4CCC(O)CC4)c3n2)C1
InChIInChI=1S/C23H33N5O2/c1-14-10-16(11-14)27-23-26-13-20-21(28-23)19(15-2-4-17(29)5-3-15)12-25-22(20)30-18-6-8-24-9-7-18/h12-18,24,29H,2-11H2,1H3,(H,26,27,28)
InChIKeyVDWRFORMTYSFPR-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.38
Rot. Bonds5

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

4-[2-[(3-methylcyclobutyl)amino]-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol (PubChem CID 137419876) has the molecular formula C23H33N5O2 and a molecular weight of 411.55 g/mol. Its IUPAC name is 4-[2-[(3-methylcyclobutyl)amino]-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-[(3-methylcyclobutyl)amino]-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
PubChem CID137419876
Molecular FormulaC23H33N5O2
Molecular Weight411.55 g/mol
Exact Mass411.26
IUPAC Name4-[2-[(3-methylcyclobutyl)amino]-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
SMILESCC1CC(Nc2ncc3c(OC4CCNCC4)ncc(C4CCC(O)CC4)c3n2)C1
InChIInChI=1S/C23H33N5O2/c1-14-10-16(11-14)27-23-26-13-20-21(28-23)19(15-2-4-17(29)5-3-15)12-25-22(20)30-18-6-8-24-9-7-18/h12-18,24,29H,2-11H2,1H3,(H,26,27,28)
InChIKeyVDWRFORMTYSFPR-UHFFFAOYSA-N
XLogP3.38
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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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-[5-piperidin-4-yloxy-2-(propan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
CID 155120004
methyl 4-[[8-(4-hydroxycyclohexyl)-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-2-yl]amino]benzoate
CID 137420168
4-[2-(cyclohexylmethyl)-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
CID 161077031
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-[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-methylsulfonylpiperidin-4-yl)oxy-2-(pentan-2-ylamino)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
CID 137420276
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
8-cyclohexyl-N-[(1S)-3,3-difluorocyclopentyl]-5-(oxan-4-yloxy)pyrido[4,3-d]pyrimidin-2-amine
CID 137420141
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-[2-[[(2S)-butan-2-yl]amino]-5-(5-hydroxypentoxy)pyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
CID 155120191

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-methylcyclobutyl)amino]-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?
The IUPAC name of 4-[2-[(3-methylcyclobutyl)amino]-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol (CID 137419876) is 4-[2-[(3-methylcyclobutyl)amino]-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-[(3-methylcyclobutyl)amino]-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[2-[(3-methylcyclobutyl)amino]-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol is CC1CC(Nc2ncc3c(OC4CCNCC4)ncc(C4CCC(O)CC4)c3n2)C1.
What is the InChIKey of 4-[2-[(3-methylcyclobutyl)amino]-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?
The InChIKey is VDWRFORMTYSFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2/c1-14-10-16(11-14)27-23-26-13-20-21(28-23)19(15-2-4-17(29)5-3-15)12-25-22(20)30-18-6-8-24-9-7-18/h12-18,24,29H,2-11H2,1H3,(H,26,27,28).
What are the key properties of 4-[2-[(3-methylcyclobutyl)amino]-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?
4-[2-[(3-methylcyclobutyl)amino]-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol has a molecular weight of 411.55 g/mol, XLogP of 3.38, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-methylcyclobutyl)amino]-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol is sourced from PubChem (CID 137419876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).