7-[2-(1-cyano-2-cyclopropylpiperidin-4-yl)iminopropanehydrazonoyl]-5-(1-pyridin-2-ylethoxy)imidazo[1,2-a]pyridine-3-carbonitrile

C27H29N9O — CID 164920658

IUPAC7-[2-(1-cyano-2-cyclopropylpiperidin-4-yl)iminopropanehydrazonoyl]-5-(1-pyridin-2-ylethoxy)imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCC(=N\C1CCN(C#N)C(C2CC2)C1)/C(=N\N)c1cc(OC(C)c2ccccn2)n2c(C#N)cnc2c1
InChIInChI=1S/C27H29N9O/c1-17(33-21-8-10-35(16-29)24(13-21)19-6-7-19)27(34-30)20-11-25-32-15-22(14-28)36(25)26(12-20)37-18(2)23-5-3-4-9-31-23/h3-5,9,11-12,15,18-19,21,24H,6-8,10,13,30H2,1-2H3/b33-17+,34-27+
InChIKeyPGZJTVPGNRNEDA-KCYJWMRQSA-N
MW495.59 g/mol
LogP3.59
Rot. Bonds7

About 7-[2-(1-cyano-2-cyclopropylpiperidin-4-yl)iminopropanehydrazonoyl]-5-(1-pyridin-2-ylethoxy)imidazo[1,2-a]pyridine-3-carbonitrile

7-[2-(1-cyano-2-cyclopropylpiperidin-4-yl)iminopropanehydrazonoyl]-5-(1-pyridin-2-ylethoxy)imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 164920658) has the molecular formula C27H29N9O and a molecular weight of 495.59 g/mol. Its IUPAC name is 7-[2-(1-cyano-2-cyclopropylpiperidin-4-yl)iminopropanehydrazonoyl]-5-(1-pyridin-2-ylethoxy)imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name7-[2-(1-cyano-2-cyclopropylpiperidin-4-yl)iminopropanehydrazonoyl]-5-(1-pyridin-2-ylethoxy)imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID164920658
Molecular FormulaC27H29N9O
Molecular Weight495.59 g/mol
Exact Mass495.25
IUPAC Name7-[2-(1-cyano-2-cyclopropylpiperidin-4-yl)iminopropanehydrazonoyl]-5-(1-pyridin-2-ylethoxy)imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCC(=N\C1CCN(C#N)C(C2CC2)C1)/C(=N\N)c1cc(OC(C)c2ccccn2)n2c(C#N)cnc2c1
InChIInChI=1S/C27H29N9O/c1-17(33-21-8-10-35(16-29)24(13-21)19-6-7-19)27(34-30)20-11-25-32-15-22(14-28)36(25)26(12-20)37-18(2)23-5-3-4-9-31-23/h3-5,9,11-12,15,18-19,21,24H,6-8,10,13,30H2,1-2H3/b33-17+,34-27+
InChIKeyPGZJTVPGNRNEDA-KCYJWMRQSA-N
XLogP3.59
TPSA140.98 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.59
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-[2-(7-azaspiro[3.5]nonan-2-ylimino)propanehydrazonoyl]-5-(1-pyridin-2-ylethoxy)imidazo[1,2-a]pyridine-3-carbonitrile
CID 164920416
tert-butyl 3-[[(1Z)-1-[3-cyano-5-(1-pyridin-2-ylethoxy)imidazo[1,2-a]pyridin-7-yl]-1-hydrazinylidenepropan-2-ylidene]amino]azetidine-1-carboxylate
CID 164920909
tert-butyl 4-[[(1Z)-1-[3-cyano-5-(3-methyl-1-pyridin-2-ylbutoxy)imidazo[1,2-a]pyridin-7-yl]-1-hydrazinylidenepropan-2-ylidene]amino]piperidine-1-carboxylate
CID 164920979
tert-butyl 4-[[(1Z)-1-[5-[1-(6-chloro-3-pyridinyl)ethoxy]-3-cyanoimidazo[1,2-a]pyridin-7-yl]-1-hydrazinylidenepropan-2-ylidene]amino]piperidine-1-carboxylate
CID 164920819
6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164921297
7-(2-piperidin-4-yliminopropanehydrazonoyl)-5-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile
CID 164921466
5-[1-(5-fluoro-2-pyridinyl)ethoxy]-7-(2-iminopropanehydrazonoyl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 164920559
7-[2-(1-tert-butylpiperidin-4-yl)iminopropanehydrazonoyl]-5-[1-[5-(trifluoromethoxy)-3-pyridinyl]ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile;formic acid
CID 164920956
tert-butyl piperidine-1-carboxylate;5-[1-(5-fluoro-2-pyridinyl)ethoxy]-7-(2-iminopropanehydrazonoyl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 164920558
4-[[(1Z)-1-[3-chloro-4-(2-hydroxy-1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridin-6-yl]-1-hydrazinylidenepropan-2-ylidene]amino]piperidine-1-carbonitrile
CID 164921160
6-[(Z)-1-amino-3-piperidin-4-yliminobut-1-en-2-yl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 169267645
5-(2-cyclopropyl-1-pyridin-2-ylethoxy)-7-(5-methyl-1-piperidin-4-yltriazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile;hydrochloride
CID 175872849

Frequently Asked Questions

What is the IUPAC name of 7-[2-(1-cyano-2-cyclopropylpiperidin-4-yl)iminopropanehydrazonoyl]-5-(1-pyridin-2-ylethoxy)imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 7-[2-(1-cyano-2-cyclopropylpiperidin-4-yl)iminopropanehydrazonoyl]-5-(1-pyridin-2-ylethoxy)imidazo[1,2-a]pyridine-3-carbonitrile (CID 164920658) is 7-[2-(1-cyano-2-cyclopropylpiperidin-4-yl)iminopropanehydrazonoyl]-5-(1-pyridin-2-ylethoxy)imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 7-[2-(1-cyano-2-cyclopropylpiperidin-4-yl)iminopropanehydrazonoyl]-5-(1-pyridin-2-ylethoxy)imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 7-[2-(1-cyano-2-cyclopropylpiperidin-4-yl)iminopropanehydrazonoyl]-5-(1-pyridin-2-ylethoxy)imidazo[1,2-a]pyridine-3-carbonitrile is CC(=N\C1CCN(C#N)C(C2CC2)C1)/C(=N\N)c1cc(OC(C)c2ccccn2)n2c(C#N)cnc2c1.
What is the InChIKey of 7-[2-(1-cyano-2-cyclopropylpiperidin-4-yl)iminopropanehydrazonoyl]-5-(1-pyridin-2-ylethoxy)imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is PGZJTVPGNRNEDA-KCYJWMRQSA-N. The full InChI is InChI=1S/C27H29N9O/c1-17(33-21-8-10-35(16-29)24(13-21)19-6-7-19)27(34-30)20-11-25-32-15-22(14-28)36(25)26(12-20)37-18(2)23-5-3-4-9-31-23/h3-5,9,11-12,15,18-19,21,24H,6-8,10,13,30H2,1-2H3/b33-17+,34-27+.
What are the key properties of 7-[2-(1-cyano-2-cyclopropylpiperidin-4-yl)iminopropanehydrazonoyl]-5-(1-pyridin-2-ylethoxy)imidazo[1,2-a]pyridine-3-carbonitrile?
7-[2-(1-cyano-2-cyclopropylpiperidin-4-yl)iminopropanehydrazonoyl]-5-(1-pyridin-2-ylethoxy)imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 495.59 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(1-cyano-2-cyclopropylpiperidin-4-yl)iminopropanehydrazonoyl]-5-(1-pyridin-2-ylethoxy)imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 164920658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).