4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazine-1-carboxamide

C23H23ClN8O2 — CID 45381640

IUPAC4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazine-1-carboxamide
SMILESCOc1cc(N2CCN(C(N)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C23H23ClN8O2/c1-34-19-12-15(30-8-10-31(11-9-30)22(25)33)5-6-17(19)28-23-27-13-16(24)21(29-23)18-14-26-20-4-2-3-7-32(18)20/h2-7,12-14H,8-11H2,1H3,(H2,25,33)(H,27,28,29)
InChIKeyAFEDHDLLXVXFNK-UHFFFAOYSA-N
MW478.94 g/mol
LogP3.40
Rot. Bonds5

About 4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazine-1-carboxamide

4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazine-1-carboxamide (PubChem CID 45381640) has the molecular formula C23H23ClN8O2 and a molecular weight of 478.94 g/mol. Its IUPAC name is 4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazine-1-carboxamide
PubChem CID45381640
Molecular FormulaC23H23ClN8O2
Molecular Weight478.94 g/mol
Exact Mass478.16
IUPAC Name4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazine-1-carboxamide
SMILESCOc1cc(N2CCN(C(N)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C23H23ClN8O2/c1-34-19-12-15(30-8-10-31(11-9-30)22(25)33)5-6-17(19)28-23-27-13-16(24)21(29-23)18-14-26-20-4-2-3-7-32(18)20/h2-7,12-14H,8-11H2,1H3,(H2,25,33)(H,27,28,29)
InChIKeyAFEDHDLLXVXFNK-UHFFFAOYSA-N
XLogP3.40
TPSA113.91 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.94
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazine-1-carboxamide?
The IUPAC name of 4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazine-1-carboxamide (CID 45381640) is 4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazine-1-carboxamide is COc1cc(N2CCN(C(N)=O)CC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1.
What is the InChIKey of 4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazine-1-carboxamide?
The InChIKey is AFEDHDLLXVXFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN8O2/c1-34-19-12-15(30-8-10-31(11-9-30)22(25)33)5-6-17(19)28-23-27-13-16(24)21(29-23)18-14-26-20-4-2-3-7-32(18)20/h2-7,12-14H,8-11H2,1H3,(H2,25,33)(H,27,28,29).
What are the key properties of 4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazine-1-carboxamide?
4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazine-1-carboxamide has a molecular weight of 478.94 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazine-1-carboxamide is sourced from PubChem (CID 45381640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).