N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-(1H-indol-3-yl)butan-2-amine

C20H22N4 — CID 56711923

IUPACN-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-(1H-indol-3-yl)butan-2-amine
SMILESCC(CCc1c[nH]c2ccccc12)NCc1cn2ccccc2n1
InChIInChI=1S/C20H22N4/c1-15(9-10-16-12-22-19-7-3-2-6-18(16)19)21-13-17-14-24-11-5-4-8-20(24)23-17/h2-8,11-12,14-15,21-22H,9-10,13H2,1H3
InChIKeyUOCURWNOQYWBKS-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.93
Rot. Bonds6

About N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-(1H-indol-3-yl)butan-2-amine

N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-(1H-indol-3-yl)butan-2-amine (PubChem CID 56711923) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-(1H-indol-3-yl)butan-2-amine.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-(1H-indol-3-yl)butan-2-amine
PubChem CID56711923
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC NameN-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-(1H-indol-3-yl)butan-2-amine
SMILESCC(CCc1c[nH]c2ccccc12)NCc1cn2ccccc2n1
InChIInChI=1S/C20H22N4/c1-15(9-10-16-12-22-19-7-3-2-6-18(16)19)21-13-17-14-24-11-5-4-8-20(24)23-17/h2-8,11-12,14-15,21-22H,9-10,13H2,1H3
InChIKeyUOCURWNOQYWBKS-UHFFFAOYSA-N
XLogP3.93
TPSA45.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-pyrazol-1-ylbutan-2-amine
CID 99705994
4-(furan-2-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)butan-2-amine
CID 60695653
1-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(1H-indol-3-yl)ethyl]-2-methylguanidine;hydroiodide
CID 110996738
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-phenylpropan-2-amine
CID 63011096
(2S)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4-(1H-indol-3-yl)butan-2-amine
CID 164642681
1-ethyl-2-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-[2-(1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 110996740
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpentan-3-amine
CID 61469725
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-7-methyloctan-1-amine
CID 60689918
(1R)-1-(2-fluorophenyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)ethanamine
CID 81379921
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-4-(1H-indol-3-yl)butan-2-amine
CID 131941358
(2S)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 95750404
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methoxy-3-methylbutan-2-amine
CID 65049447

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-(1H-indol-3-yl)butan-2-amine?
The IUPAC name of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-(1H-indol-3-yl)butan-2-amine (CID 56711923) is N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-(1H-indol-3-yl)butan-2-amine.
What is the SMILES notation for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-(1H-indol-3-yl)butan-2-amine?
The canonical SMILES for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-(1H-indol-3-yl)butan-2-amine is CC(CCc1c[nH]c2ccccc12)NCc1cn2ccccc2n1.
What is the InChIKey of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-(1H-indol-3-yl)butan-2-amine?
The InChIKey is UOCURWNOQYWBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-15(9-10-16-12-22-19-7-3-2-6-18(16)19)21-13-17-14-24-11-5-4-8-20(24)23-17/h2-8,11-12,14-15,21-22H,9-10,13H2,1H3.
What are the key properties of N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-(1H-indol-3-yl)butan-2-amine?
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-(1H-indol-3-yl)butan-2-amine has a molecular weight of 318.42 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-(1H-indol-3-yl)butan-2-amine is sourced from PubChem (CID 56711923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).