[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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Related Compounds

[2-(6-chloropyridin-3-yl)-4-(2-methoxyethoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-imidazo[1,5-a]pyridin-1-ylmethanone
CID 49821991
1-{2-[(5-chloropyridin-2-yl)amino]-2-oxoethyl}-5-(2-methoxyethoxy)-N-[1-(propan-2-yl)piperidin-4-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 53316388
[4-[[2-(4-Chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(trifluoromethyloxy)pyridin-2-yl]methanone
CID 129225985
2-(6,8-Dichloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl)-N-methyl-N-phenylacetamide
CID 24945828
6-chloro-N-[[4-[4-(4-chlorophenoxy)-1-piperidyl]phenyl]methyl]-2-ethyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 67401709
(18F)Pbr 111
CID 24944913
2-[6-chloro-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide
CID 168289645
2-(6-chloro-2-(4-(2-fluoroethoxy)phenyl)imidazo(1,2-a)pyridin-3-yl)-N,N-diethylacetamide
CID 24895169
Pbr-111
CID 24895171
6-chloro-2-ethyl-N-[[4-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 53466897
[3-[(5-Chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]-morpholin-4-ylmethanone
CID 56667013
6-chloro-2-ethyl-N-[[4-[4-[[4-(trifluoromethoxy)phenoxy]methyl]-1-piperidyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 67403725

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).