7-(1-methylpyrazol-4-yl)-5-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridine-3-carbonitrile

C28H26N8 — CID 157170486

IUPAC7-(1-methylpyrazol-4-yl)-5-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(N4CCN(Cc5ccccn5)CC4)cc3)n3c(C#N)cnc3c2)cn1
InChIInChI=1S/C28H26N8/c1-33-19-23(17-32-33)22-14-27(36-26(16-29)18-31-28(36)15-22)21-5-7-25(8-6-21)35-12-10-34(11-13-35)20-24-4-2-3-9-30-24/h2-9,14-15,17-19H,10-13,20H2,1H3
InChIKeyANKGIROZYRIEIL-UHFFFAOYSA-N
MW474.57 g/mol
LogP3.99
Rot. Bonds5

About 7-(1-methylpyrazol-4-yl)-5-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridine-3-carbonitrile

7-(1-methylpyrazol-4-yl)-5-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 157170486) has the molecular formula C28H26N8 and a molecular weight of 474.57 g/mol. Its IUPAC name is 7-(1-methylpyrazol-4-yl)-5-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name7-(1-methylpyrazol-4-yl)-5-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID157170486
Molecular FormulaC28H26N8
Molecular Weight474.57 g/mol
Exact Mass474.23
IUPAC Name7-(1-methylpyrazol-4-yl)-5-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCn1cc(-c2cc(-c3ccc(N4CCN(Cc5ccccn5)CC4)cc3)n3c(C#N)cnc3c2)cn1
InChIInChI=1S/C28H26N8/c1-33-19-23(17-32-33)22-14-27(36-26(16-29)18-31-28(36)15-22)21-5-7-25(8-6-21)35-12-10-34(11-13-35)20-24-4-2-3-9-30-24/h2-9,14-15,17-19H,10-13,20H2,1H3
InChIKeyANKGIROZYRIEIL-UHFFFAOYSA-N
XLogP3.99
TPSA78.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-[5-[4-[(2-methoxyphenyl)methyl]piperazin-1-yl]pyrazin-2-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 159566958
5-[6-(4-benzyl-4-hydroxypiperidin-1-yl)-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 149125509
5-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 163975060
5-[6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 157128500
N-[4-[3-cyano-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]phenyl]prop-2-enamide
CID 171521019
1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338
4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 171149738
1-[[5-(1-methylpyrazol-4-yl)-2-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]methyl]-4-pyridin-4-ylpiperazine
CID 167842431
2-chloro-4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]benzonitrile
CID 71978279
5-[6-[2-[[6-(dimethylamino)-3-pyridinyl]methylamino]ethyl-ethylamino]-3-pyridinyl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 163788128
tert-butyl 4-[5-[3-cyano-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]-2-pyridinyl]piperazine-1-carboxylate;7-(1-methylpyrazol-4-yl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 167561978
1-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine
CID 134032862

Frequently Asked Questions

What is the IUPAC name of 7-(1-methylpyrazol-4-yl)-5-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 7-(1-methylpyrazol-4-yl)-5-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridine-3-carbonitrile (CID 157170486) is 7-(1-methylpyrazol-4-yl)-5-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 7-(1-methylpyrazol-4-yl)-5-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 7-(1-methylpyrazol-4-yl)-5-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridine-3-carbonitrile is Cn1cc(-c2cc(-c3ccc(N4CCN(Cc5ccccn5)CC4)cc3)n3c(C#N)cnc3c2)cn1.
What is the InChIKey of 7-(1-methylpyrazol-4-yl)-5-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is ANKGIROZYRIEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N8/c1-33-19-23(17-32-33)22-14-27(36-26(16-29)18-31-28(36)15-22)21-5-7-25(8-6-21)35-12-10-34(11-13-35)20-24-4-2-3-9-30-24/h2-9,14-15,17-19H,10-13,20H2,1H3.
What are the key properties of 7-(1-methylpyrazol-4-yl)-5-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridine-3-carbonitrile?
7-(1-methylpyrazol-4-yl)-5-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 474.57 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylpyrazol-4-yl)-5-[4-[4-(pyridin-2-ylmethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 157170486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).