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

C25H31N5O2 — CID 155195311

IUPACN-[2-[(1R,2S)-2-[[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]methyl]cyclopropyl]ethyl]-1H-indole-2-carboxamide
SMILESC[C@H]1CO[C@@H](c2ccc(N)nc2)CN1C[C@H]1C[C@@H]1CCNC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C25H31N5O2/c1-16-15-32-23(19-6-7-24(26)28-12-19)14-30(16)13-20-10-17(20)8-9-27-25(31)22-11-18-4-2-3-5-21(18)29-22/h2-7,11-12,16-17,20,23,29H,8-10,13-15H2,1H3,(H2,26,28)(H,27,31)/t16-,17-,20+,23+/m0/s1
InChIKeyJQBHQHNVJCDNEL-SLHLXQHXSA-N
MW433.56 g/mol
LogP3.36
Rot. Bonds7

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

N-[2-[(1R,2S)-2-[[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]methyl]cyclopropyl]ethyl]-1H-indole-2-carboxamide (PubChem CID 155195311) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is N-[2-[(1R,2S)-2-[[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]methyl]cyclopropyl]ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(1R,2S)-2-[[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]methyl]cyclopropyl]ethyl]-1H-indole-2-carboxamide
PubChem CID155195311
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC NameN-[2-[(1R,2S)-2-[[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]methyl]cyclopropyl]ethyl]-1H-indole-2-carboxamide
SMILESC[C@H]1CO[C@@H](c2ccc(N)nc2)CN1C[C@H]1C[C@@H]1CCNC(=O)c1cc2ccccc2[nH]1
InChIInChI=1S/C25H31N5O2/c1-16-15-32-23(19-6-7-24(26)28-12-19)14-30(16)13-20-10-17(20)8-9-27-25(31)22-11-18-4-2-3-5-21(18)29-22/h2-7,11-12,16-17,20,23,29H,8-10,13-15H2,1H3,(H2,26,28)(H,27,31)/t16-,17-,20+,23+/m0/s1
InChIKeyJQBHQHNVJCDNEL-SLHLXQHXSA-N
XLogP3.36
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-[(1R,2S)-2-[[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]methyl]cyclopropyl]ethyl]-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-[2-[(1R,2S)-2-[[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]methyl]cyclopropyl]ethyl]-1H-indole-2-carboxamide?
The IUPAC name of N-[2-[(1R,2S)-2-[[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]methyl]cyclopropyl]ethyl]-1H-indole-2-carboxamide (CID 155195311) is N-[2-[(1R,2S)-2-[[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]methyl]cyclopropyl]ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-[(1R,2S)-2-[[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]methyl]cyclopropyl]ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-[(1R,2S)-2-[[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]methyl]cyclopropyl]ethyl]-1H-indole-2-carboxamide is C[C@H]1CO[C@@H](c2ccc(N)nc2)CN1C[C@H]1C[C@@H]1CCNC(=O)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[2-[(1R,2S)-2-[[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]methyl]cyclopropyl]ethyl]-1H-indole-2-carboxamide?
The InChIKey is JQBHQHNVJCDNEL-SLHLXQHXSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-16-15-32-23(19-6-7-24(26)28-12-19)14-30(16)13-20-10-17(20)8-9-27-25(31)22-11-18-4-2-3-5-21(18)29-22/h2-7,11-12,16-17,20,23,29H,8-10,13-15H2,1H3,(H2,26,28)(H,27,31)/t16-,17-,20+,23+/m0/s1.
What are the key properties of N-[2-[(1R,2S)-2-[[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]methyl]cyclopropyl]ethyl]-1H-indole-2-carboxamide?
N-[2-[(1R,2S)-2-[[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]methyl]cyclopropyl]ethyl]-1H-indole-2-carboxamide has a molecular weight of 433.56 g/mol, XLogP of 3.36, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R,2S)-2-[[(2S,5S)-2-(6-amino-3-pyridinyl)-5-methylmorpholin-4-yl]methyl]cyclopropyl]ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 155195311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).