methyl 1,5-dimethyl-4-[[4-methyl-4-(phenylmethoxycarbonylamino)cyclohexyl]amino]indazole-6-carboxylate

C26H32N4O4 — CID 154623688

IUPACmethyl 1,5-dimethyl-4-[[4-methyl-4-(phenylmethoxycarbonylamino)cyclohexyl]amino]indazole-6-carboxylate
SMILESCOC(=O)c1cc2c(cnn2C)c(NC2CCC(C)(NC(=O)OCc3ccccc3)CC2)c1C
InChIInChI=1S/C26H32N4O4/c1-17-20(24(31)33-4)14-22-21(15-27-30(22)3)23(17)28-19-10-12-26(2,13-11-19)29-25(32)34-16-18-8-6-5-7-9-18/h5-9,14-15,19,28H,10-13,16H2,1-4H3,(H,29,32)
InChIKeyTYFPZZZRALCTOW-UHFFFAOYSA-N
MW464.57 g/mol
LogP4.71
Rot. Bonds6

About methyl 1,5-dimethyl-4-[[4-methyl-4-(phenylmethoxycarbonylamino)cyclohexyl]amino]indazole-6-carboxylate

methyl 1,5-dimethyl-4-[[4-methyl-4-(phenylmethoxycarbonylamino)cyclohexyl]amino]indazole-6-carboxylate (PubChem CID 154623688) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is methyl 1,5-dimethyl-4-[[4-methyl-4-(phenylmethoxycarbonylamino)cyclohexyl]amino]indazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 1,5-dimethyl-4-[[4-methyl-4-(phenylmethoxycarbonylamino)cyclohexyl]amino]indazole-6-carboxylate
PubChem CID154623688
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC Namemethyl 1,5-dimethyl-4-[[4-methyl-4-(phenylmethoxycarbonylamino)cyclohexyl]amino]indazole-6-carboxylate
SMILESCOC(=O)c1cc2c(cnn2C)c(NC2CCC(C)(NC(=O)OCc3ccccc3)CC2)c1C
InChIInChI=1S/C26H32N4O4/c1-17-20(24(31)33-4)14-22-21(15-27-30(22)3)23(17)28-19-10-12-26(2,13-11-19)29-25(32)34-16-18-8-6-5-7-9-18/h5-9,14-15,19,28H,10-13,16H2,1-4H3,(H,29,32)
InChIKeyTYFPZZZRALCTOW-UHFFFAOYSA-N
XLogP4.71
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 1,5-dimethyl-4-[[4-methyl-4-(phenylmethoxycarbonylamino)cyclohexyl]amino]indazole-6-carboxylate with MolForge

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Related Compounds

Methyl 4-[[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]carbamoyl]benzoate
CID 24793406
3-({[1-(4-fluoro-phenyl)-1H-indazole-4-carbonyl]-amino}-methyl)-benzoic acid methyl ester
CID 58138832
1-cyclopentyl-6-[4-[3-(dimethylamino)propoxymethyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]indazole-4-carboxamide
CID 77464447
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2-hydroxyethoxymethyl)indazole-4-carboxamide
CID 77465874
Methyl 5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate
CID 137484866
1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[4-(3-morpholin-4-ylpropoxymethyl)phenyl]indazole-4-carboxamide
CID 138404055
1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-6-[4-(2-morpholin-4-ylethoxymethyl)phenyl]indazole-4-carboxamide
CID 138404057
1-cyclopentyl-6-[3-[2-(dimethylamino)ethoxymethyl]phenyl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]indazole-4-carboxamide
CID 138404059
6-[3-(2-aminoethoxymethyl)phenyl]-1-cyclopentyl-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]indazole-4-carboxamide
CID 138404060
2-[2-[[4-[3-(Aminomethyl)phenyl]-2-(cyclopropylmethyl)indazole-6-carbonyl]amino]phenyl]acetic acid
CID 139560599
Ethyl 2-[2-[[4-[3-(aminomethyl)phenyl]-2-(cyclopropylmethyl)indazole-6-carbonyl]amino]phenyl]acetate
CID 139561141
2-[2-[[4-[3-(Aminomethyl)phenyl]-1-(cyclopropylmethyl)indazole-6-carbonyl]amino]phenyl]acetic acid
CID 139561812

Frequently Asked Questions

What is the IUPAC name of methyl 1,5-dimethyl-4-[[4-methyl-4-(phenylmethoxycarbonylamino)cyclohexyl]amino]indazole-6-carboxylate?
The IUPAC name of methyl 1,5-dimethyl-4-[[4-methyl-4-(phenylmethoxycarbonylamino)cyclohexyl]amino]indazole-6-carboxylate (CID 154623688) is methyl 1,5-dimethyl-4-[[4-methyl-4-(phenylmethoxycarbonylamino)cyclohexyl]amino]indazole-6-carboxylate.
What is the SMILES notation for methyl 1,5-dimethyl-4-[[4-methyl-4-(phenylmethoxycarbonylamino)cyclohexyl]amino]indazole-6-carboxylate?
The canonical SMILES for methyl 1,5-dimethyl-4-[[4-methyl-4-(phenylmethoxycarbonylamino)cyclohexyl]amino]indazole-6-carboxylate is COC(=O)c1cc2c(cnn2C)c(NC2CCC(C)(NC(=O)OCc3ccccc3)CC2)c1C.
What is the InChIKey of methyl 1,5-dimethyl-4-[[4-methyl-4-(phenylmethoxycarbonylamino)cyclohexyl]amino]indazole-6-carboxylate?
The InChIKey is TYFPZZZRALCTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-17-20(24(31)33-4)14-22-21(15-27-30(22)3)23(17)28-19-10-12-26(2,13-11-19)29-25(32)34-16-18-8-6-5-7-9-18/h5-9,14-15,19,28H,10-13,16H2,1-4H3,(H,29,32).
What are the key properties of methyl 1,5-dimethyl-4-[[4-methyl-4-(phenylmethoxycarbonylamino)cyclohexyl]amino]indazole-6-carboxylate?
methyl 1,5-dimethyl-4-[[4-methyl-4-(phenylmethoxycarbonylamino)cyclohexyl]amino]indazole-6-carboxylate has a molecular weight of 464.57 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,5-dimethyl-4-[[4-methyl-4-(phenylmethoxycarbonylamino)cyclohexyl]amino]indazole-6-carboxylate is sourced from PubChem (CID 154623688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).