N-(pyridin-4-ylmethyl)-4H-imidazo[1,5-a]indol-4-amine

C16H14N4 — CID 121265553

IUPACN-(pyridin-4-ylmethyl)-4H-imidazo[1,5-a]indol-4-amine
SMILESc1ccc2c(c1)C(NCc1ccncc1)c1cncn1-2
InChIInChI=1S/C16H14N4/c1-2-4-14-13(3-1)16(15-10-18-11-20(14)15)19-9-12-5-7-17-8-6-12/h1-8,10-11,16,19H,9H2
InChIKeyXUZJHFQLNKCHFN-UHFFFAOYSA-N
MW262.32 g/mol
LogP2.46
Rot. Bonds3

About N-(pyridin-4-ylmethyl)-4H-imidazo[1,5-a]indol-4-amine

N-(pyridin-4-ylmethyl)-4H-imidazo[1,5-a]indol-4-amine (PubChem CID 121265553) has the molecular formula C16H14N4 and a molecular weight of 262.32 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)-4H-imidazo[1,5-a]indol-4-amine.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)-4H-imidazo[1,5-a]indol-4-amine
PubChem CID121265553
Molecular FormulaC16H14N4
Molecular Weight262.32 g/mol
Exact Mass262.12
IUPAC NameN-(pyridin-4-ylmethyl)-4H-imidazo[1,5-a]indol-4-amine
SMILESc1ccc2c(c1)C(NCc1ccncc1)c1cncn1-2
InChIInChI=1S/C16H14N4/c1-2-4-14-13(3-1)16(15-10-18-11-20(14)15)19-9-12-5-7-17-8-6-12/h1-8,10-11,16,19H,9H2
InChIKeyXUZJHFQLNKCHFN-UHFFFAOYSA-N
XLogP2.46
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)-4H-imidazo[1,5-a]indol-4-amine?
The IUPAC name of N-(pyridin-4-ylmethyl)-4H-imidazo[1,5-a]indol-4-amine (CID 121265553) is N-(pyridin-4-ylmethyl)-4H-imidazo[1,5-a]indol-4-amine.
What is the SMILES notation for N-(pyridin-4-ylmethyl)-4H-imidazo[1,5-a]indol-4-amine?
The canonical SMILES for N-(pyridin-4-ylmethyl)-4H-imidazo[1,5-a]indol-4-amine is c1ccc2c(c1)C(NCc1ccncc1)c1cncn1-2.
What is the InChIKey of N-(pyridin-4-ylmethyl)-4H-imidazo[1,5-a]indol-4-amine?
The InChIKey is XUZJHFQLNKCHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4/c1-2-4-14-13(3-1)16(15-10-18-11-20(14)15)19-9-12-5-7-17-8-6-12/h1-8,10-11,16,19H,9H2.
What are the key properties of N-(pyridin-4-ylmethyl)-4H-imidazo[1,5-a]indol-4-amine?
N-(pyridin-4-ylmethyl)-4H-imidazo[1,5-a]indol-4-amine has a molecular weight of 262.32 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)-4H-imidazo[1,5-a]indol-4-amine is sourced from PubChem (CID 121265553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).