CMUGOQVUAQNETL-SQKCAUCHSA-N

Name: CMUGOQVUAQNETL-SQKCAUCHSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₀H₃₀Cl₂N₄O₂ — CID 86713482

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC8-(cyclohexylmethoxy)-2-methyl-N-[(3S)-pyrrolidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride

SMILESCc1nc2c(OCC3CCCCC3)cccn2c1C(=O)N[C@H]1CCNC1.Cl.Cl

InChIInChI=1S/C20H28N4O2.2ClH/c1-14-18(20(25)23-16-9-10-21-12-16)24-11-5-8-17(19(24)22-14)26-13-15-6-3-2-4-7-15;;/h5,8,11,15-16,21H,2-4,6-7,9-10,12-13H2,1H3,(H,23,25);2*1H/t16-;;/m0../s1

InChIKeyCMUGOQVUAQNETL-SQKCAUCHSA-N

MW429.39 g/mol

LogP3.54

Rot. Bonds5

About CMUGOQVUAQNETL-SQKCAUCHSA-N

CMUGOQVUAQNETL-SQKCAUCHSA-N (PubChem CID 86713482) has the molecular formula C₂₀H₃₀Cl₂N₄O₂ and a molecular weight of 429.39 g/mol. Its IUPAC name is 8-(cyclohexylmethoxy)-2-methyl-N-[(3S)-pyrrolidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name	CMUGOQVUAQNETL-SQKCAUCHSA-N
PubChem CID	86713482
Molecular Formula	C₂₀H₃₀Cl₂N₄O₂
Molecular Weight	429.39 g/mol
Exact Mass	428.17
IUPAC Name	8-(cyclohexylmethoxy)-2-methyl-N-[(3S)-pyrrolidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride
SMILES	Cc1nc2c(OCC3CCCCC3)cccn2c1C(=O)N[C@H]1CCNC1.Cl.Cl
InChI	InChI=1S/C20H28N4O2.2ClH/c1-14-18(20(25)23-16-9-10-21-12-16)24-11-5-8-17(19(24)22-14)26-13-15-6-3-2-4-7-15;;/h5,8,11,15-16,21H,2-4,6-7,9-10,12-13H2,1H3,(H,23,25);2*1H/t16-;;/m0../s1
InChIKey	CMUGOQVUAQNETL-SQKCAUCHSA-N
XLogP	3.54
TPSA	67.66 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.39
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of CMUGOQVUAQNETL-SQKCAUCHSA-N?

The IUPAC name of CMUGOQVUAQNETL-SQKCAUCHSA-N (CID 86713482) is 8-(cyclohexylmethoxy)-2-methyl-N-[(3S)-pyrrolidin-3-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride.

What is the SMILES notation for CMUGOQVUAQNETL-SQKCAUCHSA-N?

The canonical SMILES for CMUGOQVUAQNETL-SQKCAUCHSA-N is Cc1nc2c(OCC3CCCCC3)cccn2c1C(=O)N[C@H]1CCNC1.Cl.Cl.

What is the InChIKey of CMUGOQVUAQNETL-SQKCAUCHSA-N?

The InChIKey is CMUGOQVUAQNETL-SQKCAUCHSA-N. The full InChI is InChI=1S/C20H28N4O2.2ClH/c1-14-18(20(25)23-16-9-10-21-12-16)24-11-5-8-17(19(24)22-14)26-13-15-6-3-2-4-7-15;;/h5,8,11,15-16,21H,2-4,6-7,9-10,12-13H2,1H3,(H,23,25);2*1H/t16-;;/m0../s1.

What are the key properties of CMUGOQVUAQNETL-SQKCAUCHSA-N?

CMUGOQVUAQNETL-SQKCAUCHSA-N has a molecular weight of 429.39 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for CMUGOQVUAQNETL-SQKCAUCHSA-N is sourced from PubChem (CID 86713482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 86713482 — identifiers, structure, computed properties (public domain)

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