N-[[1-[2-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]-1H-indole-2-carboxamide

C24H28N8O2 — CID 155195512

IUPACN-[[1-[2-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]-1H-indole-2-carboxamide
SMILESC[C@H]1CO[C@@H](c2ccc(N)nc2)CN1CCn1cc(CNC(=O)c2cc3ccccc3[nH]2)nn1
InChIInChI=1S/C24H28N8O2/c1-16-15-34-22(18-6-7-23(25)26-11-18)14-31(16)8-9-32-13-19(29-30-32)12-27-24(33)21-10-17-4-2-3-5-20(17)28-21/h2-7,10-11,13,16,22,28H,8-9,12,14-15H2,1H3,(H2,25,26)(H,27,33)/t16-,22+/m0/s1
InChIKeyZCKIEICGPWNFBV-KSFYIVLOSA-N
MW460.54 g/mol
LogP2.13
Rot. Bonds7

About N-[[1-[2-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]-1H-indole-2-carboxamide

N-[[1-[2-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]-1H-indole-2-carboxamide (PubChem CID 155195512) has the molecular formula C24H28N8O2 and a molecular weight of 460.54 g/mol. Its IUPAC name is N-[[1-[2-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[2-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]-1H-indole-2-carboxamide
PubChem CID155195512
Molecular FormulaC24H28N8O2
Molecular Weight460.54 g/mol
Exact Mass460.23
IUPAC NameN-[[1-[2-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]-1H-indole-2-carboxamide
SMILESC[C@H]1CO[C@@H](c2ccc(N)nc2)CN1CCn1cc(CNC(=O)c2cc3ccccc3[nH]2)nn1
InChIInChI=1S/C24H28N8O2/c1-16-15-34-22(18-6-7-23(25)26-11-18)14-31(16)8-9-32-13-19(29-30-32)12-27-24(33)21-10-17-4-2-3-5-20(17)28-21/h2-7,10-11,13,16,22,28H,8-9,12,14-15H2,1H3,(H2,25,26)(H,27,33)/t16-,22+/m0/s1
InChIKeyZCKIEICGPWNFBV-KSFYIVLOSA-N
XLogP2.13
TPSA126.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[[1-[2-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]-1H-indole-2-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-[[1-[2-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[[1-[2-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]-1H-indole-2-carboxamide (CID 155195512) is N-[[1-[2-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[[1-[2-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[[1-[2-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]-1H-indole-2-carboxamide is C[C@H]1CO[C@@H](c2ccc(N)nc2)CN1CCn1cc(CNC(=O)c2cc3ccccc3[nH]2)nn1.
What is the InChIKey of N-[[1-[2-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]-1H-indole-2-carboxamide?
The InChIKey is ZCKIEICGPWNFBV-KSFYIVLOSA-N. The full InChI is InChI=1S/C24H28N8O2/c1-16-15-34-22(18-6-7-23(25)26-11-18)14-31(16)8-9-32-13-19(29-30-32)12-27-24(33)21-10-17-4-2-3-5-20(17)28-21/h2-7,10-11,13,16,22,28H,8-9,12,14-15H2,1H3,(H2,25,26)(H,27,33)/t16-,22+/m0/s1.
What are the key properties of N-[[1-[2-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]-1H-indole-2-carboxamide?
N-[[1-[2-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]-1H-indole-2-carboxamide has a molecular weight of 460.54 g/mol, XLogP of 2.13, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]ethyl]triazol-4-yl]methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 155195512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).