formaldehyde;methyl 2-cyclohexyl-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]indazole-6-carboxylate

C22H31N3O5 — CID 155751827

IUPACformaldehyde;methyl 2-cyclohexyl-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]indazole-6-carboxylate
SMILESC=O.COC(=O)c1cc2nn(C3CCCCC3)cc2cc1N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C21H29N3O4.CH2O/c1-21(2,3)28-20(26)23(4)18-11-14-13-24(15-9-7-6-8-10-15)22-17(14)12-16(18)19(25)27-5;1-2/h11-13,15H,6-10H2,1-5H3;1H2
InChIKeySFKZEOLXNMMQQV-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.51
Rot. Bonds3

About formaldehyde;methyl 2-cyclohexyl-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]indazole-6-carboxylate

formaldehyde;methyl 2-cyclohexyl-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]indazole-6-carboxylate (PubChem CID 155751827) has the molecular formula C22H31N3O5 and a molecular weight of 417.51 g/mol. Its IUPAC name is formaldehyde;methyl 2-cyclohexyl-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]indazole-6-carboxylate.

Molecular Properties

Compound Nameformaldehyde;methyl 2-cyclohexyl-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]indazole-6-carboxylate
PubChem CID155751827
Molecular FormulaC22H31N3O5
Molecular Weight417.51 g/mol
Exact Mass417.23
IUPAC Nameformaldehyde;methyl 2-cyclohexyl-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]indazole-6-carboxylate
SMILESC=O.COC(=O)c1cc2nn(C3CCCCC3)cc2cc1N(C)C(=O)OC(C)(C)C
InChIInChI=1S/C21H29N3O4.CH2O/c1-21(2,3)28-20(26)23(4)18-11-14-13-24(15-9-7-6-8-10-15)22-17(14)12-16(18)19(25)27-5;1-2/h11-13,15H,6-10H2,1-5H3;1H2
InChIKeySFKZEOLXNMMQQV-UHFFFAOYSA-N
XLogP4.51
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]-N-methylcarbamate;methyl 6-methoxy-2-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]indazole-5-carboxylate
CID 175927197
methyl 2-cyclopentylindazole-6-carboxylate
CID 54059647
methyl 2-[(1S,3S)-3-hydroxy-3-methylcyclohexyl]-6-methoxyindazole-5-carboxylate
CID 163396417
ethane;methoxymethylbenzene;methyl 2-cyclohexyl-6-propan-2-yloxyindazole-5-carboxylate
CID 166472245
methyl 5-[(8,8-difluoro-6,7-dihydro-5H-quinoline-2-carbonyl)amino]-2-[4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cyclohexyl]indazole-6-carboxylate
CID 175973052
tert-butyl N-[4-[6-methoxy-5-[(1-methyl-2-oxo-3-pyridinyl)carbamoyl]indazol-2-yl]cyclohexyl]-N-methylcarbamate
CID 170227634
3,4-dichloro-N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]benzamide;formaldehyde
CID 155751991
methyl 4-amino-1-cyclohexylpyrazole-3-carboxylate
CID 107344569
methyl N-[4-(5-bromo-6-methoxyindazol-2-yl)cyclohexyl]-N-methylcarbamate
CID 169132481
N-[2-cyclohexyl-6-(2-hydroxypropan-2-yl)indazol-5-yl]formamide
CID 167156213
tert-butyl N-[4-[6-methoxy-5-(pyrazolo[1,5-c]pyrimidin-3-ylcarbamoyl)indazol-2-yl]cyclohexyl]-N-methylcarbamate
CID 164791971
methyl 2-(thian-4-yl)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazole-6-carboxylate
CID 137377327

Frequently Asked Questions

What is the IUPAC name of formaldehyde;methyl 2-cyclohexyl-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]indazole-6-carboxylate?
The IUPAC name of formaldehyde;methyl 2-cyclohexyl-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]indazole-6-carboxylate (CID 155751827) is formaldehyde;methyl 2-cyclohexyl-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]indazole-6-carboxylate.
What is the SMILES notation for formaldehyde;methyl 2-cyclohexyl-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]indazole-6-carboxylate?
The canonical SMILES for formaldehyde;methyl 2-cyclohexyl-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]indazole-6-carboxylate is C=O.COC(=O)c1cc2nn(C3CCCCC3)cc2cc1N(C)C(=O)OC(C)(C)C.
What is the InChIKey of formaldehyde;methyl 2-cyclohexyl-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]indazole-6-carboxylate?
The InChIKey is SFKZEOLXNMMQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O4.CH2O/c1-21(2,3)28-20(26)23(4)18-11-14-13-24(15-9-7-6-8-10-15)22-17(14)12-16(18)19(25)27-5;1-2/h11-13,15H,6-10H2,1-5H3;1H2.
What are the key properties of formaldehyde;methyl 2-cyclohexyl-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]indazole-6-carboxylate?
formaldehyde;methyl 2-cyclohexyl-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]indazole-6-carboxylate has a molecular weight of 417.51 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;methyl 2-cyclohexyl-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]indazole-6-carboxylate is sourced from PubChem (CID 155751827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).