4-[[4-(4-methoxyindazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol

C18H21N5O2 — CID 24961360

IUPAC4-[[4-(4-methoxyindazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESCOc1cccc2c1cnn2-c1ccnc(NC2CCC(O)CC2)n1
InChIInChI=1S/C18H21N5O2/c1-25-16-4-2-3-15-14(16)11-20-23(15)17-9-10-19-18(22-17)21-12-5-7-13(24)8-6-12/h2-4,9-13,24H,5-8H2,1H3,(H,19,21,22)
InChIKeyMUNGYPZWBYEXFS-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.54
Rot. Bonds4

About 4-[[4-(4-methoxyindazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol

4-[[4-(4-methoxyindazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol (PubChem CID 24961360) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-[[4-(4-methoxyindazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[4-(4-methoxyindazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
PubChem CID24961360
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name4-[[4-(4-methoxyindazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESCOc1cccc2c1cnn2-c1ccnc(NC2CCC(O)CC2)n1
InChIInChI=1S/C18H21N5O2/c1-25-16-4-2-3-15-14(16)11-20-23(15)17-9-10-19-18(22-17)21-12-5-7-13(24)8-6-12/h2-4,9-13,24H,5-8H2,1H3,(H,19,21,22)
InChIKeyMUNGYPZWBYEXFS-UHFFFAOYSA-N
XLogP2.54
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Bms-690514
CID 11349170
Pyrazolopyridazine 1
CID 6539361
Pyrazolo[1,5-b]pyridazine deriv. 43
CID 6539385
Sgc-clk-1
CID 6539389
Sdccggsk-0000152.P001
CID 11163861
Trans-4-[(4-{4-[3-(Methylsulfonyl)propoxy]-1h-Indazol-1-Yl}pyrimidin-2-Yl)amino]cyclohexanol
CID 59743327
Sdccggsk-0000007.P001
CID 9604943
N-(1-Benzyl-1H-indazol-5-yl)-6,7-dimethoxyquinazolin-4-amine
CID 44279443
N-[(4-fluorophenyl)methylideneamino]-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 53239950
Pyrazolopyridazine 2
CID 6539367
Pyrazolo[1,5-b]pyridazine deriv. 42
CID 6539384
Pyrazolo[1,5-b]pyridazine deriv. 46
CID 6539388

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-methoxyindazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[4-(4-methoxyindazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol (CID 24961360) is 4-[[4-(4-methoxyindazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[4-(4-methoxyindazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[4-(4-methoxyindazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol is COc1cccc2c1cnn2-c1ccnc(NC2CCC(O)CC2)n1.
What is the InChIKey of 4-[[4-(4-methoxyindazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is MUNGYPZWBYEXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-25-16-4-2-3-15-14(16)11-20-23(15)17-9-10-19-18(22-17)21-12-5-7-13(24)8-6-12/h2-4,9-13,24H,5-8H2,1H3,(H,19,21,22).
What are the key properties of 4-[[4-(4-methoxyindazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol?
4-[[4-(4-methoxyindazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 339.40 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-methoxyindazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 24961360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).