1-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]cyclopropane-1-carboxylic acid

C20H20ClN5O2 — CID 139344782

IUPAC1-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C2CCCN(c3ccnc(-c4cnc5ccc(Cl)cn45)n3)C2)CC1
InChIInChI=1S/C20H20ClN5O2/c21-14-3-4-16-23-10-15(26(16)12-14)18-22-8-5-17(24-18)25-9-1-2-13(11-25)20(6-7-20)19(27)28/h3-5,8,10,12-13H,1-2,6-7,9,11H2,(H,27,28)
InChIKeyIKWGEEDVYBIHLE-UHFFFAOYSA-N
MW397.87 g/mol
LogP3.53
Rot. Bonds4

About 1-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]cyclopropane-1-carboxylic acid

1-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]cyclopropane-1-carboxylic acid (PubChem CID 139344782) has the molecular formula C20H20ClN5O2 and a molecular weight of 397.87 g/mol. Its IUPAC name is 1-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]cyclopropane-1-carboxylic acid
PubChem CID139344782
Molecular FormulaC20H20ClN5O2
Molecular Weight397.87 g/mol
Exact Mass397.13
IUPAC Name1-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C2CCCN(c3ccnc(-c4cnc5ccc(Cl)cn45)n3)C2)CC1
InChIInChI=1S/C20H20ClN5O2/c21-14-3-4-16-23-10-15(26(16)12-14)18-22-8-5-17(24-18)25-9-1-2-13(11-25)20(6-7-20)19(27)28/h3-5,8,10,12-13H,1-2,6-7,9,11H2,(H,27,28)
InChIKeyIKWGEEDVYBIHLE-UHFFFAOYSA-N
XLogP3.53
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.87
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]cyclopropane-1-carboxylic acid (CID 139344782) is 1-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]cyclopropane-1-carboxylic acid is O=C(O)C1(C2CCCN(c3ccnc(-c4cnc5ccc(Cl)cn45)n3)C2)CC1.
What is the InChIKey of 1-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]cyclopropane-1-carboxylic acid?
The InChIKey is IKWGEEDVYBIHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O2/c21-14-3-4-16-23-10-15(26(16)12-14)18-22-8-5-17(24-18)25-9-1-2-13(11-25)20(6-7-20)19(27)28/h3-5,8,10,12-13H,1-2,6-7,9,11H2,(H,27,28).
What are the key properties of 1-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]cyclopropane-1-carboxylic acid?
1-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]cyclopropane-1-carboxylic acid has a molecular weight of 397.87 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidin-3-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 139344782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).