4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-a]pyridin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile

C20H16ClN7 — CID 155534168

IUPAC4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-a]pyridin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile
SMILESC[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2cc1-c1ccccc1
InChIInChI=1S/C20H16ClN7/c1-12(27-20-15(8-22)19(23)25-11-26-20)14-7-18-24-9-17(21)28(18)10-16(14)13-5-3-2-4-6-13/h2-7,9-12H,1H3,(H3,23,25,26,27)/t12-/m0/s1
InChIKeyKOFDAKIKQAUBQM-LBPRGKRZSA-N
MW389.85 g/mol
LogP4.07
Rot. Bonds4

About 4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-a]pyridin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile

4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-a]pyridin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile (PubChem CID 155534168) has the molecular formula C20H16ClN7 and a molecular weight of 389.85 g/mol. Its IUPAC name is 4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-a]pyridin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-a]pyridin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile
PubChem CID155534168
Molecular FormulaC20H16ClN7
Molecular Weight389.85 g/mol
Exact Mass389.12
IUPAC Name4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-a]pyridin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile
SMILESC[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2cc1-c1ccccc1
InChIInChI=1S/C20H16ClN7/c1-12(27-20-15(8-22)19(23)25-11-26-20)14-7-18-24-9-17(21)28(18)10-16(14)13-5-3-2-4-6-13/h2-7,9-12H,1H3,(H3,23,25,26,27)/t12-/m0/s1
InChIKeyKOFDAKIKQAUBQM-LBPRGKRZSA-N
XLogP4.07
TPSA104.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.85
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-a]pyridin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile 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-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-a]pyridin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-a]pyridin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile (CID 155534168) is 4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-a]pyridin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-a]pyridin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-a]pyridin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile is C[C@H](Nc1ncnc(N)c1C#N)c1cc2ncc(Cl)n2cc1-c1ccccc1.
What is the InChIKey of 4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-a]pyridin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile?
The InChIKey is KOFDAKIKQAUBQM-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H16ClN7/c1-12(27-20-15(8-22)19(23)25-11-26-20)14-7-18-24-9-17(21)28(18)10-16(14)13-5-3-2-4-6-13/h2-7,9-12H,1H3,(H3,23,25,26,27)/t12-/m0/s1.
What are the key properties of 4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-a]pyridin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile?
4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-a]pyridin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile has a molecular weight of 389.85 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[[(1S)-1-(3-chloro-6-phenylimidazo[1,2-a]pyridin-7-yl)ethyl]amino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 155534168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).