N-[2-[(5S)-5-ethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-6-methyl-1H-benzimidazol-5-yl]-N-methyl-2-[(2R)-2-methylmorpholin-4-yl]acetamide

C25H34N6O2 — CID 174110945

IUPACN-[2-[(5S)-5-ethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-6-methyl-1H-benzimidazol-5-yl]-N-methyl-2-[(2R)-2-methylmorpholin-4-yl]acetamide
SMILESCC[C@H]1CCc2[nH]nc(-c3nc4cc(N(C)C(=O)CN5CCO[C@H](C)C5)c(C)cc4[nH]3)c2C1
InChIInChI=1S/C25H34N6O2/c1-5-17-6-7-19-18(11-17)24(29-28-19)25-26-20-10-15(2)22(12-21(20)27-25)30(4)23(32)14-31-8-9-33-16(3)13-31/h10,12,16-17H,5-9,11,13-14H2,1-4H3,(H,26,27)(H,28,29)/t16-,17+/m1/s1
InChIKeyHNCXLFOYIXPNMM-SJORKVTESA-N
MW450.59 g/mol
LogP3.46
Rot. Bonds5

About N-[2-[(5S)-5-ethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-6-methyl-1H-benzimidazol-5-yl]-N-methyl-2-[(2R)-2-methylmorpholin-4-yl]acetamide

N-[2-[(5S)-5-ethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-6-methyl-1H-benzimidazol-5-yl]-N-methyl-2-[(2R)-2-methylmorpholin-4-yl]acetamide (PubChem CID 174110945) has the molecular formula C25H34N6O2 and a molecular weight of 450.59 g/mol. Its IUPAC name is N-[2-[(5S)-5-ethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-6-methyl-1H-benzimidazol-5-yl]-N-methyl-2-[(2R)-2-methylmorpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(5S)-5-ethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-6-methyl-1H-benzimidazol-5-yl]-N-methyl-2-[(2R)-2-methylmorpholin-4-yl]acetamide
PubChem CID174110945
Molecular FormulaC25H34N6O2
Molecular Weight450.59 g/mol
Exact Mass450.27
IUPAC NameN-[2-[(5S)-5-ethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-6-methyl-1H-benzimidazol-5-yl]-N-methyl-2-[(2R)-2-methylmorpholin-4-yl]acetamide
SMILESCC[C@H]1CCc2[nH]nc(-c3nc4cc(N(C)C(=O)CN5CCO[C@H](C)C5)c(C)cc4[nH]3)c2C1
InChIInChI=1S/C25H34N6O2/c1-5-17-6-7-19-18(11-17)24(29-28-19)25-26-20-10-15(2)22(12-21(20)27-25)30(4)23(32)14-31-8-9-33-16(3)13-31/h10,12,16-17H,5-9,11,13-14H2,1-4H3,(H,26,27)(H,28,29)/t16-,17+/m1/s1
InChIKeyHNCXLFOYIXPNMM-SJORKVTESA-N
XLogP3.46
TPSA90.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[(5S)-5-ethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-6-methyl-1H-benzimidazol-5-yl]-N-methyl-2-[(2R)-2-methylmorpholin-4-yl]acetamide 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-[2-[(5S)-5-ethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-6-methyl-1H-benzimidazol-5-yl]-N-methyl-2-[(2R)-2-methylmorpholin-4-yl]acetamide?
The IUPAC name of N-[2-[(5S)-5-ethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-6-methyl-1H-benzimidazol-5-yl]-N-methyl-2-[(2R)-2-methylmorpholin-4-yl]acetamide (CID 174110945) is N-[2-[(5S)-5-ethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-6-methyl-1H-benzimidazol-5-yl]-N-methyl-2-[(2R)-2-methylmorpholin-4-yl]acetamide.
What is the SMILES notation for N-[2-[(5S)-5-ethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-6-methyl-1H-benzimidazol-5-yl]-N-methyl-2-[(2R)-2-methylmorpholin-4-yl]acetamide?
The canonical SMILES for N-[2-[(5S)-5-ethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-6-methyl-1H-benzimidazol-5-yl]-N-methyl-2-[(2R)-2-methylmorpholin-4-yl]acetamide is CC[C@H]1CCc2[nH]nc(-c3nc4cc(N(C)C(=O)CN5CCO[C@H](C)C5)c(C)cc4[nH]3)c2C1.
What is the InChIKey of N-[2-[(5S)-5-ethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-6-methyl-1H-benzimidazol-5-yl]-N-methyl-2-[(2R)-2-methylmorpholin-4-yl]acetamide?
The InChIKey is HNCXLFOYIXPNMM-SJORKVTESA-N. The full InChI is InChI=1S/C25H34N6O2/c1-5-17-6-7-19-18(11-17)24(29-28-19)25-26-20-10-15(2)22(12-21(20)27-25)30(4)23(32)14-31-8-9-33-16(3)13-31/h10,12,16-17H,5-9,11,13-14H2,1-4H3,(H,26,27)(H,28,29)/t16-,17+/m1/s1.
What are the key properties of N-[2-[(5S)-5-ethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-6-methyl-1H-benzimidazol-5-yl]-N-methyl-2-[(2R)-2-methylmorpholin-4-yl]acetamide?
N-[2-[(5S)-5-ethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-6-methyl-1H-benzimidazol-5-yl]-N-methyl-2-[(2R)-2-methylmorpholin-4-yl]acetamide has a molecular weight of 450.59 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5S)-5-ethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-6-methyl-1H-benzimidazol-5-yl]-N-methyl-2-[(2R)-2-methylmorpholin-4-yl]acetamide is sourced from PubChem (CID 174110945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).