[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-propan-2-yloxy-2-pyridinyl)methanone

C27H28ClN5O2 — CID 135144607

IUPAC[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-propan-2-yloxy-2-pyridinyl)methanone
SMILESCC(C)Oc1cccc(C(=O)N2CCN(Cc3c(-c4ccc(Cl)cc4)nc4ccccn34)CC2)n1
InChIInChI=1S/C27H28ClN5O2/c1-19(2)35-25-8-5-6-22(29-25)27(34)32-16-14-31(15-17-32)18-23-26(20-9-11-21(28)12-10-20)30-24-7-3-4-13-33(23)24/h3-13,19H,14-18H2,1-2H3
InChIKeyXHZPTKNWVOBRQF-UHFFFAOYSA-N
MW490.01 g/mol
LogP4.79
Rot. Bonds6

About [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-propan-2-yloxy-2-pyridinyl)methanone

[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-propan-2-yloxy-2-pyridinyl)methanone (PubChem CID 135144607) has the molecular formula C27H28ClN5O2 and a molecular weight of 490.01 g/mol. Its IUPAC name is [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-propan-2-yloxy-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-propan-2-yloxy-2-pyridinyl)methanone
PubChem CID135144607
Molecular FormulaC27H28ClN5O2
Molecular Weight490.01 g/mol
Exact Mass489.19
IUPAC Name[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-propan-2-yloxy-2-pyridinyl)methanone
SMILESCC(C)Oc1cccc(C(=O)N2CCN(Cc3c(-c4ccc(Cl)cc4)nc4ccccn34)CC2)n1
InChIInChI=1S/C27H28ClN5O2/c1-19(2)35-25-8-5-6-22(29-25)27(34)32-16-14-31(15-17-32)18-23-26(20-9-11-21(28)12-10-20)30-24-7-3-4-13-33(23)24/h3-13,19H,14-18H2,1-2H3
InChIKeyXHZPTKNWVOBRQF-UHFFFAOYSA-N
XLogP4.79
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.01
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-propan-2-yloxy-2-pyridinyl)methanone?
The IUPAC name of [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-propan-2-yloxy-2-pyridinyl)methanone (CID 135144607) is [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-propan-2-yloxy-2-pyridinyl)methanone.
What is the SMILES notation for [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-propan-2-yloxy-2-pyridinyl)methanone?
The canonical SMILES for [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-propan-2-yloxy-2-pyridinyl)methanone is CC(C)Oc1cccc(C(=O)N2CCN(Cc3c(-c4ccc(Cl)cc4)nc4ccccn34)CC2)n1.
What is the InChIKey of [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-propan-2-yloxy-2-pyridinyl)methanone?
The InChIKey is XHZPTKNWVOBRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN5O2/c1-19(2)35-25-8-5-6-22(29-25)27(34)32-16-14-31(15-17-32)18-23-26(20-9-11-21(28)12-10-20)30-24-7-3-4-13-33(23)24/h3-13,19H,14-18H2,1-2H3.
What are the key properties of [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-propan-2-yloxy-2-pyridinyl)methanone?
[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-propan-2-yloxy-2-pyridinyl)methanone has a molecular weight of 490.01 g/mol, XLogP of 4.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(6-propan-2-yloxy-2-pyridinyl)methanone is sourced from PubChem (CID 135144607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).