1-[4-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclohexyl]piperidin-4-ol

C22H29N7O2 — CID 90389778

IUPAC1-[4-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclohexyl]piperidin-4-ol
SMILESCOc1ccc(-n2nnc3cnc(NC4CCC(N5CCC(O)CC5)CC4)nc32)cc1
InChIInChI=1S/C22H29N7O2/c1-31-19-8-6-17(7-9-19)29-21-20(26-27-29)14-23-22(25-21)24-15-2-4-16(5-3-15)28-12-10-18(30)11-13-28/h6-9,14-16,18,30H,2-5,10-13H2,1H3,(H,23,24,25)
InChIKeyPYPFZZAYLUMRSK-UHFFFAOYSA-N
MW423.52 g/mol
LogP2.40
Rot. Bonds5

About 1-[4-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclohexyl]piperidin-4-ol

1-[4-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclohexyl]piperidin-4-ol (PubChem CID 90389778) has the molecular formula C22H29N7O2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 1-[4-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclohexyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclohexyl]piperidin-4-ol
PubChem CID90389778
Molecular FormulaC22H29N7O2
Molecular Weight423.52 g/mol
Exact Mass423.24
IUPAC Name1-[4-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclohexyl]piperidin-4-ol
SMILESCOc1ccc(-n2nnc3cnc(NC4CCC(N5CCC(O)CC5)CC4)nc32)cc1
InChIInChI=1S/C22H29N7O2/c1-31-19-8-6-17(7-9-19)29-21-20(26-27-29)14-23-22(25-21)24-15-2-4-16(5-3-15)28-12-10-18(30)11-13-28/h6-9,14-16,18,30H,2-5,10-13H2,1H3,(H,23,24,25)
InChIKeyPYPFZZAYLUMRSK-UHFFFAOYSA-N
XLogP2.40
TPSA101.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[4-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclohexyl]piperidin-4-ol with MolForge

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Related Compounds

N-cyclopropyl-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-amine
CID 86279715
[1-[4-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclohexyl]piperidin-4-yl] formate
CID 90389779
trans-(1S,3S)-3-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol
CID 90389737
3-(4-methoxyphenyl)-N-[(1S,3S)-3-methylcyclopentyl]triazolo[4,5-d]pyrimidin-5-amine
CID 90397889
3-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carboxylic acid
CID 123258965
carbamic acid;N-cyclohexyl-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-amine
CID 129094343
3-(4-methoxyphenyl)-N-[(1R,3S)-3-(trimethyl-λ4-sulfanyl)cyclopentyl]triazolo[4,5-d]pyrimidin-5-amine
CID 118668260
3-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentane-1-carbonitrile
CID 118659313
trans-(1R,3R)-3-[[3-(4-ethoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol
CID 90389604
3-(4-methoxyphenyl)-N-[(3R)-pyrrolidin-3-yl]triazolo[4,5-d]pyrimidin-5-amine;hydrochloride
CID 90390001
3-[[3-(5-methoxy-2-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol
CID 90390356
trans-(1R,3S)-3-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]-1-(trifluoromethyl)cyclopentan-1-ol
CID 90391094

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclohexyl]piperidin-4-ol?
The IUPAC name of 1-[4-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclohexyl]piperidin-4-ol (CID 90389778) is 1-[4-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclohexyl]piperidin-4-ol.
What is the SMILES notation for 1-[4-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclohexyl]piperidin-4-ol?
The canonical SMILES for 1-[4-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclohexyl]piperidin-4-ol is COc1ccc(-n2nnc3cnc(NC4CCC(N5CCC(O)CC5)CC4)nc32)cc1.
What is the InChIKey of 1-[4-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclohexyl]piperidin-4-ol?
The InChIKey is PYPFZZAYLUMRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7O2/c1-31-19-8-6-17(7-9-19)29-21-20(26-27-29)14-23-22(25-21)24-15-2-4-16(5-3-15)28-12-10-18(30)11-13-28/h6-9,14-16,18,30H,2-5,10-13H2,1H3,(H,23,24,25).
What are the key properties of 1-[4-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclohexyl]piperidin-4-ol?
1-[4-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclohexyl]piperidin-4-ol has a molecular weight of 423.52 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclohexyl]piperidin-4-ol is sourced from PubChem (CID 90389778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).