4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide

C29H42N6O3 — CID 162678221

IUPAC4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide
SMILESCCc1c(C(=O)NCC2C(=O)N=C(C)C=C2OC)cc2c(cnn2C)c1N(CC)C1CCC(N(C)C)CC1
InChIInChI=1S/C29H42N6O3/c1-8-21-22(28(36)30-16-24-26(38-7)14-18(3)32-29(24)37)15-25-23(17-31-34(25)6)27(21)35(9-2)20-12-10-19(11-13-20)33(4)5/h14-15,17,19-20,24H,8-13,16H2,1-7H3,(H,30,36)
InChIKeyGVVRZRXCMRBGEQ-UHFFFAOYSA-N
MW522.69 g/mol
LogP3.71
Rot. Bonds9

About 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide

4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide (PubChem CID 162678221) has the molecular formula C29H42N6O3 and a molecular weight of 522.69 g/mol. Its IUPAC name is 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide.

Molecular Properties

Compound Name4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide
PubChem CID162678221
Molecular FormulaC29H42N6O3
Molecular Weight522.69 g/mol
Exact Mass522.33
IUPAC Name4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide
SMILESCCc1c(C(=O)NCC2C(=O)N=C(C)C=C2OC)cc2c(cnn2C)c1N(CC)C1CCC(N(C)C)CC1
InChIInChI=1S/C29H42N6O3/c1-8-21-22(28(36)30-16-24-26(38-7)14-18(3)32-29(24)37)15-25-23(17-31-34(25)6)27(21)35(9-2)20-12-10-19(11-13-20)33(4)5/h14-15,17,19-20,24H,8-13,16H2,1-7H3,(H,30,36)
InChIKeyGVVRZRXCMRBGEQ-UHFFFAOYSA-N
XLogP3.71
TPSA92.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.69
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide?
The IUPAC name of 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide (CID 162678221) is 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide.
What is the SMILES notation for 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide?
The canonical SMILES for 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide is CCc1c(C(=O)NCC2C(=O)N=C(C)C=C2OC)cc2c(cnn2C)c1N(CC)C1CCC(N(C)C)CC1.
What is the InChIKey of 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide?
The InChIKey is GVVRZRXCMRBGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H42N6O3/c1-8-21-22(28(36)30-16-24-26(38-7)14-18(3)32-29(24)37)15-25-23(17-31-34(25)6)27(21)35(9-2)20-12-10-19(11-13-20)33(4)5/h14-15,17,19-20,24H,8-13,16H2,1-7H3,(H,30,36).
What are the key properties of 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide?
4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide has a molecular weight of 522.69 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dimethylamino)cyclohexyl]-ethylamino]-5-ethyl-N-[(4-methoxy-6-methyl-2-oxo-3H-pyridin-3-yl)methyl]-1-methylindazole-6-carboxamide is sourced from PubChem (CID 162678221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).