4-N-[5-chloro-4-(6-pyrimidin-5-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine

C21H21ClN8 — CID 154601410

IUPAC4-N-[5-chloro-4-(6-pyrimidin-5-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2ncc(Cl)c(-c3cnc4ccc(-c5cncnc5)cn34)n2)CC1
InChIInChI=1S/C21H21ClN8/c22-17-9-27-21(28-16-4-2-15(23)3-5-16)29-20(17)18-10-26-19-6-1-13(11-30(18)19)14-7-24-12-25-8-14/h1,6-12,15-16H,2-5,23H2,(H,27,28,29)
InChIKeyYVASWJILYOCGQR-UHFFFAOYSA-N
MW420.91 g/mol
LogP3.58
Rot. Bonds4

About 4-N-[5-chloro-4-(6-pyrimidin-5-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine

4-N-[5-chloro-4-(6-pyrimidin-5-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine (PubChem CID 154601410) has the molecular formula C21H21ClN8 and a molecular weight of 420.91 g/mol. Its IUPAC name is 4-N-[5-chloro-4-(6-pyrimidin-5-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[5-chloro-4-(6-pyrimidin-5-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine
PubChem CID154601410
Molecular FormulaC21H21ClN8
Molecular Weight420.91 g/mol
Exact Mass420.16
IUPAC Name4-N-[5-chloro-4-(6-pyrimidin-5-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2ncc(Cl)c(-c3cnc4ccc(-c5cncnc5)cn34)n2)CC1
InChIInChI=1S/C21H21ClN8/c22-17-9-27-21(28-16-4-2-15(23)3-5-16)29-20(17)18-10-26-19-6-1-13(11-30(18)19)14-7-24-12-25-8-14/h1,6-12,15-16H,2-5,23H2,(H,27,28,29)
InChIKeyYVASWJILYOCGQR-UHFFFAOYSA-N
XLogP3.58
TPSA106.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.91
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-N-[5-chloro-4-(6-pyrimidin-5-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-[5-chloro-4-(6-pyrimidin-5-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[5-chloro-4-(6-pyrimidin-5-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine (CID 154601410) is 4-N-[5-chloro-4-(6-pyrimidin-5-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[5-chloro-4-(6-pyrimidin-5-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[5-chloro-4-(6-pyrimidin-5-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine is NC1CCC(Nc2ncc(Cl)c(-c3cnc4ccc(-c5cncnc5)cn34)n2)CC1.
What is the InChIKey of 4-N-[5-chloro-4-(6-pyrimidin-5-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine?
The InChIKey is YVASWJILYOCGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN8/c22-17-9-27-21(28-16-4-2-15(23)3-5-16)29-20(17)18-10-26-19-6-1-13(11-30(18)19)14-7-24-12-25-8-14/h1,6-12,15-16H,2-5,23H2,(H,27,28,29).
What are the key properties of 4-N-[5-chloro-4-(6-pyrimidin-5-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine?
4-N-[5-chloro-4-(6-pyrimidin-5-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine has a molecular weight of 420.91 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[5-chloro-4-(6-pyrimidin-5-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 154601410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).