7-[(1R,3S)-3-hydroxycyclohexyl]-1-methyl-5H-imidazo[4,5-f]indazol-6-one

C15H18N4O2 — CID 170021990

IUPAC7-[(1R,3S)-3-hydroxycyclohexyl]-1-methyl-5H-imidazo[4,5-f]indazol-6-one
SMILESCn1ncc2cc3[nH]c(=O)n([C@@H]4CCC[C@H](O)C4)c3cc21
InChIInChI=1S/C15H18N4O2/c1-18-13-7-14-12(5-9(13)8-16-18)17-15(21)19(14)10-3-2-4-11(20)6-10/h5,7-8,10-11,20H,2-4,6H2,1H3,(H,17,21)/t10-,11+/m1/s1
InChIKeyFQQCHSAVPSXIGM-MNOVXSKESA-N
MW286.33 g/mol
LogP1.69
Rot. Bonds1

About 7-[(1R,3S)-3-hydroxycyclohexyl]-1-methyl-5H-imidazo[4,5-f]indazol-6-one

7-[(1R,3S)-3-hydroxycyclohexyl]-1-methyl-5H-imidazo[4,5-f]indazol-6-one (PubChem CID 170021990) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 7-[(1R,3S)-3-hydroxycyclohexyl]-1-methyl-5H-imidazo[4,5-f]indazol-6-one.

Molecular Properties

Compound Name7-[(1R,3S)-3-hydroxycyclohexyl]-1-methyl-5H-imidazo[4,5-f]indazol-6-one
PubChem CID170021990
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name7-[(1R,3S)-3-hydroxycyclohexyl]-1-methyl-5H-imidazo[4,5-f]indazol-6-one
SMILESCn1ncc2cc3[nH]c(=O)n([C@@H]4CCC[C@H](O)C4)c3cc21
InChIInChI=1S/C15H18N4O2/c1-18-13-7-14-12(5-9(13)8-16-18)17-15(21)19(14)10-3-2-4-11(20)6-10/h5,7-8,10-11,20H,2-4,6H2,1H3,(H,17,21)/t10-,11+/m1/s1
InChIKeyFQQCHSAVPSXIGM-MNOVXSKESA-N
XLogP1.69
TPSA75.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(1R,3S)-3-hydroxycyclohexyl]-1-methyl-5H-imidazo[4,5-f]indazol-6-one?
The IUPAC name of 7-[(1R,3S)-3-hydroxycyclohexyl]-1-methyl-5H-imidazo[4,5-f]indazol-6-one (CID 170021990) is 7-[(1R,3S)-3-hydroxycyclohexyl]-1-methyl-5H-imidazo[4,5-f]indazol-6-one.
What is the SMILES notation for 7-[(1R,3S)-3-hydroxycyclohexyl]-1-methyl-5H-imidazo[4,5-f]indazol-6-one?
The canonical SMILES for 7-[(1R,3S)-3-hydroxycyclohexyl]-1-methyl-5H-imidazo[4,5-f]indazol-6-one is Cn1ncc2cc3[nH]c(=O)n([C@@H]4CCC[C@H](O)C4)c3cc21.
What is the InChIKey of 7-[(1R,3S)-3-hydroxycyclohexyl]-1-methyl-5H-imidazo[4,5-f]indazol-6-one?
The InChIKey is FQQCHSAVPSXIGM-MNOVXSKESA-N. The full InChI is InChI=1S/C15H18N4O2/c1-18-13-7-14-12(5-9(13)8-16-18)17-15(21)19(14)10-3-2-4-11(20)6-10/h5,7-8,10-11,20H,2-4,6H2,1H3,(H,17,21)/t10-,11+/m1/s1.
What are the key properties of 7-[(1R,3S)-3-hydroxycyclohexyl]-1-methyl-5H-imidazo[4,5-f]indazol-6-one?
7-[(1R,3S)-3-hydroxycyclohexyl]-1-methyl-5H-imidazo[4,5-f]indazol-6-one has a molecular weight of 286.33 g/mol, XLogP of 1.69, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1R,3S)-3-hydroxycyclohexyl]-1-methyl-5H-imidazo[4,5-f]indazol-6-one is sourced from PubChem (CID 170021990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).