N-[[3-[(5-ethyl-1H-imidazole-4-carbonyl)amino]-1-methylcyclobutyl]methyl]-3-methyl-2H-indazole-5-carboxamide

C21H26N6O2 — CID 167841529

IUPACN-[[3-[(5-ethyl-1H-imidazole-4-carbonyl)amino]-1-methylcyclobutyl]methyl]-3-methyl-2H-indazole-5-carboxamide
SMILESCCc1[nH]cnc1C(=O)NC1CC(C)(CNC(=O)c2ccc3n[nH]c(C)c3c2)C1
InChIInChI=1S/C21H26N6O2/c1-4-16-18(24-11-23-16)20(29)25-14-8-21(3,9-14)10-22-19(28)13-5-6-17-15(7-13)12(2)26-27-17/h5-7,11,14H,4,8-10H2,1-3H3,(H,22,28)(H,23,24)(H,25,29)(H,26,27)
InChIKeyHFSMMHBVCLIBSS-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.49
Rot. Bonds6

About N-[[3-[(5-ethyl-1H-imidazole-4-carbonyl)amino]-1-methylcyclobutyl]methyl]-3-methyl-2H-indazole-5-carboxamide

N-[[3-[(5-ethyl-1H-imidazole-4-carbonyl)amino]-1-methylcyclobutyl]methyl]-3-methyl-2H-indazole-5-carboxamide (PubChem CID 167841529) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[[3-[(5-ethyl-1H-imidazole-4-carbonyl)amino]-1-methylcyclobutyl]methyl]-3-methyl-2H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[[3-[(5-ethyl-1H-imidazole-4-carbonyl)amino]-1-methylcyclobutyl]methyl]-3-methyl-2H-indazole-5-carboxamide
PubChem CID167841529
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC NameN-[[3-[(5-ethyl-1H-imidazole-4-carbonyl)amino]-1-methylcyclobutyl]methyl]-3-methyl-2H-indazole-5-carboxamide
SMILESCCc1[nH]cnc1C(=O)NC1CC(C)(CNC(=O)c2ccc3n[nH]c(C)c3c2)C1
InChIInChI=1S/C21H26N6O2/c1-4-16-18(24-11-23-16)20(29)25-14-8-21(3,9-14)10-22-19(28)13-5-6-17-15(7-13)12(2)26-27-17/h5-7,11,14H,4,8-10H2,1-3H3,(H,22,28)(H,23,24)(H,25,29)(H,26,27)
InChIKeyHFSMMHBVCLIBSS-UHFFFAOYSA-N
XLogP2.49
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(5-ethyl-1H-imidazole-4-carbonyl)amino]-1-methylcyclobutyl]methyl]-3-methyl-2H-indazole-5-carboxamide?
The IUPAC name of N-[[3-[(5-ethyl-1H-imidazole-4-carbonyl)amino]-1-methylcyclobutyl]methyl]-3-methyl-2H-indazole-5-carboxamide (CID 167841529) is N-[[3-[(5-ethyl-1H-imidazole-4-carbonyl)amino]-1-methylcyclobutyl]methyl]-3-methyl-2H-indazole-5-carboxamide.
What is the SMILES notation for N-[[3-[(5-ethyl-1H-imidazole-4-carbonyl)amino]-1-methylcyclobutyl]methyl]-3-methyl-2H-indazole-5-carboxamide?
The canonical SMILES for N-[[3-[(5-ethyl-1H-imidazole-4-carbonyl)amino]-1-methylcyclobutyl]methyl]-3-methyl-2H-indazole-5-carboxamide is CCc1[nH]cnc1C(=O)NC1CC(C)(CNC(=O)c2ccc3n[nH]c(C)c3c2)C1.
What is the InChIKey of N-[[3-[(5-ethyl-1H-imidazole-4-carbonyl)amino]-1-methylcyclobutyl]methyl]-3-methyl-2H-indazole-5-carboxamide?
The InChIKey is HFSMMHBVCLIBSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-4-16-18(24-11-23-16)20(29)25-14-8-21(3,9-14)10-22-19(28)13-5-6-17-15(7-13)12(2)26-27-17/h5-7,11,14H,4,8-10H2,1-3H3,(H,22,28)(H,23,24)(H,25,29)(H,26,27).
What are the key properties of N-[[3-[(5-ethyl-1H-imidazole-4-carbonyl)amino]-1-methylcyclobutyl]methyl]-3-methyl-2H-indazole-5-carboxamide?
N-[[3-[(5-ethyl-1H-imidazole-4-carbonyl)amino]-1-methylcyclobutyl]methyl]-3-methyl-2H-indazole-5-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 2.49, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(5-ethyl-1H-imidazole-4-carbonyl)amino]-1-methylcyclobutyl]methyl]-3-methyl-2H-indazole-5-carboxamide is sourced from PubChem (CID 167841529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).