N-(1-pyridazin-4-ylethyl)-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline

C19H21N5 — CID 167876054

IUPACN-(1-pyridazin-4-ylethyl)-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline
SMILESCC(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1ccnnc1
InChIInChI=1S/C19H21N5/c1-14(16-9-10-20-21-12-16)22-17-7-5-15(6-8-17)18-13-24-11-3-2-4-19(24)23-18/h5-10,12-14,22H,2-4,11H2,1H3
InChIKeyVEMNLDATASAUCN-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.85
Rot. Bonds4

About N-(1-pyridazin-4-ylethyl)-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline

N-(1-pyridazin-4-ylethyl)-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline (PubChem CID 167876054) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(1-pyridazin-4-ylethyl)-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline.

Molecular Properties

Compound NameN-(1-pyridazin-4-ylethyl)-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline
PubChem CID167876054
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC NameN-(1-pyridazin-4-ylethyl)-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline
SMILESCC(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1ccnnc1
InChIInChI=1S/C19H21N5/c1-14(16-9-10-20-21-12-16)22-17-7-5-15(6-8-17)18-13-24-11-3-2-4-19(24)23-18/h5-10,12-14,22H,2-4,11H2,1H3
InChIKeyVEMNLDATASAUCN-UHFFFAOYSA-N
XLogP3.85
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-pyridazin-4-ylethyl)-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline?
The IUPAC name of N-(1-pyridazin-4-ylethyl)-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline (CID 167876054) is N-(1-pyridazin-4-ylethyl)-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline.
What is the SMILES notation for N-(1-pyridazin-4-ylethyl)-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline?
The canonical SMILES for N-(1-pyridazin-4-ylethyl)-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline is CC(Nc1ccc(-c2cn3c(n2)CCCC3)cc1)c1ccnnc1.
What is the InChIKey of N-(1-pyridazin-4-ylethyl)-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline?
The InChIKey is VEMNLDATASAUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-14(16-9-10-20-21-12-16)22-17-7-5-15(6-8-17)18-13-24-11-3-2-4-19(24)23-18/h5-10,12-14,22H,2-4,11H2,1H3.
What are the key properties of N-(1-pyridazin-4-ylethyl)-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline?
N-(1-pyridazin-4-ylethyl)-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline has a molecular weight of 319.41 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridazin-4-ylethyl)-4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)aniline is sourced from PubChem (CID 167876054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).