N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]-propan-2-ylamino]-1-methylindazole-6-carboxamide

C64H92N12O6 — CID 158173282

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]-propan-2-ylamino]-1-methylindazole-6-carboxamide
SMILESCCc1c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2c(cnn2C)c1N(C(C)C)C1CCC(N2CC(OC)C2)CC1.CCc1c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2c(cnn2C)c1N(C(C)C)C1CCC(N2CC(OC)C2)CC1
InChIInChI=1S/2C32H46N6O3/c2*1-8-25-26(31(39)33-15-27-20(4)13-21(5)35-32(27)40)14-29-28(16-34-36(29)6)30(25)38(19(2)3)23-11-9-22(10-12-23)37-17-24(18-37)41-7/h2*13-14,16,19,22-24H,8-12,15,17-18H2,1-7H3,(H,33,39)(H,35,40)
InChIKeyFXSCMOIGPLQSDU-UHFFFAOYSA-N
MW1125.52 g/mol
LogP8.45
Rot. Bonds18

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]-propan-2-ylamino]-1-methylindazole-6-carboxamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]-propan-2-ylamino]-1-methylindazole-6-carboxamide (PubChem CID 158173282) has the molecular formula C64H92N12O6 and a molecular weight of 1125.52 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]-propan-2-ylamino]-1-methylindazole-6-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]-propan-2-ylamino]-1-methylindazole-6-carboxamide
PubChem CID158173282
Molecular FormulaC64H92N12O6
Molecular Weight1125.52 g/mol
Exact Mass1124.73
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]-propan-2-ylamino]-1-methylindazole-6-carboxamide
SMILESCCc1c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2c(cnn2C)c1N(C(C)C)C1CCC(N2CC(OC)C2)CC1.CCc1c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2c(cnn2C)c1N(C(C)C)C1CCC(N2CC(OC)C2)CC1
InChIInChI=1S/2C32H46N6O3/c2*1-8-25-26(31(39)33-15-27-20(4)13-21(5)35-32(27)40)14-29-28(16-34-36(29)6)30(25)38(19(2)3)23-11-9-22(10-12-23)37-17-24(18-37)41-7/h2*13-14,16,19,22-24H,8-12,15,17-18H2,1-7H3,(H,33,39)(H,35,40)
InChIKeyFXSCMOIGPLQSDU-UHFFFAOYSA-N
XLogP8.45
TPSA190.98 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001125.52
LogP ≤ 58.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]-propan-2-ylamino]-1-methylindazole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]-propan-2-ylamino]-1-methylindazole-6-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]-propan-2-ylamino]-1-methylindazole-6-carboxamide (CID 158173282) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]-propan-2-ylamino]-1-methylindazole-6-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]-propan-2-ylamino]-1-methylindazole-6-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]-propan-2-ylamino]-1-methylindazole-6-carboxamide is CCc1c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2c(cnn2C)c1N(C(C)C)C1CCC(N2CC(OC)C2)CC1.CCc1c(C(=O)NCc2c(C)cc(C)[nH]c2=O)cc2c(cnn2C)c1N(C(C)C)C1CCC(N2CC(OC)C2)CC1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]-propan-2-ylamino]-1-methylindazole-6-carboxamide?
The InChIKey is FXSCMOIGPLQSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H46N6O3/c2*1-8-25-26(31(39)33-15-27-20(4)13-21(5)35-32(27)40)14-29-28(16-34-36(29)6)30(25)38(19(2)3)23-11-9-22(10-12-23)37-17-24(18-37)41-7/h2*13-14,16,19,22-24H,8-12,15,17-18H2,1-7H3,(H,33,39)(H,35,40).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]-propan-2-ylamino]-1-methylindazole-6-carboxamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]-propan-2-ylamino]-1-methylindazole-6-carboxamide has a molecular weight of 1125.52 g/mol, XLogP of 8.45, 18 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-ethyl-4-[[4-(3-methoxyazetidin-1-yl)cyclohexyl]-propan-2-ylamino]-1-methylindazole-6-carboxamide is sourced from PubChem (CID 158173282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).