N-(imidazo[1,2-a]pyridin-2-ylmethyl)isoquinolin-5-amine

C17H14N4 — CID 60683568

IUPACN-(imidazo[1,2-a]pyridin-2-ylmethyl)isoquinolin-5-amine
SMILESc1cc(NCc2cn3ccccc3n2)c2ccncc2c1
InChIInChI=1S/C17H14N4/c1-2-9-21-12-14(20-17(21)6-1)11-19-16-5-3-4-13-10-18-8-7-15(13)16/h1-10,12,19H,11H2
InChIKeyBQRJTCXPOTYBEI-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.49
Rot. Bonds3

About N-(imidazo[1,2-a]pyridin-2-ylmethyl)isoquinolin-5-amine

N-(imidazo[1,2-a]pyridin-2-ylmethyl)isoquinolin-5-amine (PubChem CID 60683568) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is N-(imidazo[1,2-a]pyridin-2-ylmethyl)isoquinolin-5-amine.

Molecular Properties

Compound NameN-(imidazo[1,2-a]pyridin-2-ylmethyl)isoquinolin-5-amine
PubChem CID60683568
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC NameN-(imidazo[1,2-a]pyridin-2-ylmethyl)isoquinolin-5-amine
SMILESc1cc(NCc2cn3ccccc3n2)c2ccncc2c1
InChIInChI=1S/C17H14N4/c1-2-9-21-12-14(20-17(21)6-1)11-19-16-5-3-4-13-10-18-8-7-15(13)16/h1-10,12,19H,11H2
InChIKeyBQRJTCXPOTYBEI-UHFFFAOYSA-N
XLogP3.49
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-phenylaniline
CID 43825852
N-(pyridin-3-ylmethyl)isoquinolin-5-amine
CID 43681304
N-(imidazo[1,2-a]pyridin-2-ylmethyl)naphthalen-2-amine
CID 43400804
N-[(2-bromophenyl)methyl]isoquinolin-5-amine
CID 43229357
N-[(1-propylpyrrol-3-yl)methyl]isoquinolin-5-amine
CID 66397773
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methylpropan-2-amine
CID 28586618
4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
CID 759208
4-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
CID 2967719
3-bromo-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
CID 4701924
2-chloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-methylaniline
CID 103768036
5-bromo-2,4-difluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)aniline
CID 102847163
2,5-dichloro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylaniline
CID 104726088

Frequently Asked Questions

What is the IUPAC name of N-(imidazo[1,2-a]pyridin-2-ylmethyl)isoquinolin-5-amine?
The IUPAC name of N-(imidazo[1,2-a]pyridin-2-ylmethyl)isoquinolin-5-amine (CID 60683568) is N-(imidazo[1,2-a]pyridin-2-ylmethyl)isoquinolin-5-amine.
What is the SMILES notation for N-(imidazo[1,2-a]pyridin-2-ylmethyl)isoquinolin-5-amine?
The canonical SMILES for N-(imidazo[1,2-a]pyridin-2-ylmethyl)isoquinolin-5-amine is c1cc(NCc2cn3ccccc3n2)c2ccncc2c1.
What is the InChIKey of N-(imidazo[1,2-a]pyridin-2-ylmethyl)isoquinolin-5-amine?
The InChIKey is BQRJTCXPOTYBEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c1-2-9-21-12-14(20-17(21)6-1)11-19-16-5-3-4-13-10-18-8-7-15(13)16/h1-10,12,19H,11H2.
What are the key properties of N-(imidazo[1,2-a]pyridin-2-ylmethyl)isoquinolin-5-amine?
N-(imidazo[1,2-a]pyridin-2-ylmethyl)isoquinolin-5-amine has a molecular weight of 274.33 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(imidazo[1,2-a]pyridin-2-ylmethyl)isoquinolin-5-amine is sourced from PubChem (CID 60683568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).