(2S)-N-[2-[(5S)-5-ethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-7-(methoxymethyl)-3H-benzimidazol-5-yl]-N-methyl-2-morpholin-4-ylpropanamide

C26H36N6O3 — CID 174110953

IUPAC(2S)-N-[2-[(5S)-5-ethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-7-(methoxymethyl)-3H-benzimidazol-5-yl]-N-methyl-2-morpholin-4-ylpropanamide
SMILESCC[C@H]1CCc2[nH]nc(-c3nc4c(COC)cc(N(C)C(=O)[C@H](C)N5CCOCC5)cc4[nH]3)c2C1
InChIInChI=1S/C26H36N6O3/c1-5-17-6-7-21-20(12-17)24(30-29-21)25-27-22-14-19(13-18(15-34-4)23(22)28-25)31(3)26(33)16(2)32-8-10-35-11-9-32/h13-14,16-17H,5-12,15H2,1-4H3,(H,27,28)(H,29,30)/t16-,17-/m0/s1
InChIKeyZHXCSYRXWWFZQD-IRXDYDNUSA-N
MW480.61 g/mol
LogP3.30
Rot. Bonds7

About (2S)-N-[2-[(5S)-5-ethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-7-(methoxymethyl)-3H-benzimidazol-5-yl]-N-methyl-2-morpholin-4-ylpropanamide

(2S)-N-[2-[(5S)-5-ethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-7-(methoxymethyl)-3H-benzimidazol-5-yl]-N-methyl-2-morpholin-4-ylpropanamide (PubChem CID 174110953) has the molecular formula C26H36N6O3 and a molecular weight of 480.61 g/mol. Its IUPAC name is (2S)-N-[2-[(5S)-5-ethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-7-(methoxymethyl)-3H-benzimidazol-5-yl]-N-methyl-2-morpholin-4-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[2-[(5S)-5-ethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-7-(methoxymethyl)-3H-benzimidazol-5-yl]-N-methyl-2-morpholin-4-ylpropanamide
PubChem CID174110953
Molecular FormulaC26H36N6O3
Molecular Weight480.61 g/mol
Exact Mass480.28
IUPAC Name(2S)-N-[2-[(5S)-5-ethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-7-(methoxymethyl)-3H-benzimidazol-5-yl]-N-methyl-2-morpholin-4-ylpropanamide
SMILESCC[C@H]1CCc2[nH]nc(-c3nc4c(COC)cc(N(C)C(=O)[C@H](C)N5CCOCC5)cc4[nH]3)c2C1
InChIInChI=1S/C26H36N6O3/c1-5-17-6-7-21-20(12-17)24(30-29-21)25-27-22-14-19(13-18(15-34-4)23(22)28-25)31(3)26(33)16(2)32-8-10-35-11-9-32/h13-14,16-17H,5-12,15H2,1-4H3,(H,27,28)(H,29,30)/t16-,17-/m0/s1
InChIKeyZHXCSYRXWWFZQD-IRXDYDNUSA-N
XLogP3.30
TPSA99.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-N-[2-[(5S)-5-ethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-7-(methoxymethyl)-3H-benzimidazol-5-yl]-N-methyl-2-morpholin-4-ylpropanamide 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 (2S)-N-[2-[(5S)-5-ethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-7-(methoxymethyl)-3H-benzimidazol-5-yl]-N-methyl-2-morpholin-4-ylpropanamide?
The IUPAC name of (2S)-N-[2-[(5S)-5-ethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-7-(methoxymethyl)-3H-benzimidazol-5-yl]-N-methyl-2-morpholin-4-ylpropanamide (CID 174110953) is (2S)-N-[2-[(5S)-5-ethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-7-(methoxymethyl)-3H-benzimidazol-5-yl]-N-methyl-2-morpholin-4-ylpropanamide.
What is the SMILES notation for (2S)-N-[2-[(5S)-5-ethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-7-(methoxymethyl)-3H-benzimidazol-5-yl]-N-methyl-2-morpholin-4-ylpropanamide?
The canonical SMILES for (2S)-N-[2-[(5S)-5-ethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-7-(methoxymethyl)-3H-benzimidazol-5-yl]-N-methyl-2-morpholin-4-ylpropanamide is CC[C@H]1CCc2[nH]nc(-c3nc4c(COC)cc(N(C)C(=O)[C@H](C)N5CCOCC5)cc4[nH]3)c2C1.
What is the InChIKey of (2S)-N-[2-[(5S)-5-ethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-7-(methoxymethyl)-3H-benzimidazol-5-yl]-N-methyl-2-morpholin-4-ylpropanamide?
The InChIKey is ZHXCSYRXWWFZQD-IRXDYDNUSA-N. The full InChI is InChI=1S/C26H36N6O3/c1-5-17-6-7-21-20(12-17)24(30-29-21)25-27-22-14-19(13-18(15-34-4)23(22)28-25)31(3)26(33)16(2)32-8-10-35-11-9-32/h13-14,16-17H,5-12,15H2,1-4H3,(H,27,28)(H,29,30)/t16-,17-/m0/s1.
What are the key properties of (2S)-N-[2-[(5S)-5-ethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-7-(methoxymethyl)-3H-benzimidazol-5-yl]-N-methyl-2-morpholin-4-ylpropanamide?
(2S)-N-[2-[(5S)-5-ethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-7-(methoxymethyl)-3H-benzimidazol-5-yl]-N-methyl-2-morpholin-4-ylpropanamide has a molecular weight of 480.61 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-[(5S)-5-ethyl-4,5,6,7-tetrahydro-1H-indazol-3-yl]-7-(methoxymethyl)-3H-benzimidazol-5-yl]-N-methyl-2-morpholin-4-ylpropanamide is sourced from PubChem (CID 174110953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).