4-[1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethoxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C26H29N9O — CID 169267257

IUPAC4-[1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethoxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(=N\C1CCNCC1)/C(=N\N)c1cc(OC(C)c2cncc3c2ccn3C)c2c(C#N)cnn2c1
InChIInChI=1S/C26H29N9O/c1-16(32-20-4-7-29-8-5-20)25(33-28)18-10-24(26-19(11-27)12-31-35(26)15-18)36-17(2)22-13-30-14-23-21(22)6-9-34(23)3/h6,9-10,12-15,17,20,29H,4-5,7-8,28H2,1-3H3/b32-16+,33-25+
InChIKeyUYHHCHRGCVSTKV-SLKZRMSRSA-N
MW483.58 g/mol
LogP3.11
Rot. Bonds6

About 4-[1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethoxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethoxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 169267257) has the molecular formula C26H29N9O and a molecular weight of 483.58 g/mol. Its IUPAC name is 4-[1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethoxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethoxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID169267257
Molecular FormulaC26H29N9O
Molecular Weight483.58 g/mol
Exact Mass483.25
IUPAC Name4-[1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethoxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(=N\C1CCNCC1)/C(=N\N)c1cc(OC(C)c2cncc3c2ccn3C)c2c(C#N)cnn2c1
InChIInChI=1S/C26H29N9O/c1-16(32-20-4-7-29-8-5-20)25(33-28)18-10-24(26-19(11-27)12-31-35(26)15-18)36-17(2)22-13-30-14-23-21(22)6-9-34(23)3/h6,9-10,12-15,17,20,29H,4-5,7-8,28H2,1-3H3/b32-16+,33-25+
InChIKeyUYHHCHRGCVSTKV-SLKZRMSRSA-N
XLogP3.11
TPSA130.91 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.58
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', '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

4-[1-(7-fluoroisoquinolin-4-yl)ethoxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 169267507
6-(2-piperidin-4-yliminopropanehydrazonoyl)-4-[1-[5-(trifluoromethyl)-3-pyridinyl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164921064
6-(5-methyl-1-piperidin-4-yltriazol-4-yl)-4-[1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride
CID 176863998
6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164921297
6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-[1-(1-propan-2-yltriazol-4-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164920905
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
4-[(6,6-difluoro-5,7-dihydrocyclopenta[b]pyridin-7-yl)oxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164920615
6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164920665
2-[1-[3-cyano-6-[2-(1-formylpiperidin-4-yl)iminopropanehydrazonoyl]pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-N,N-dimethylbenzamide;2-methoxy-2-methylpropane
CID 164921223
6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-[1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164921348
2-[3-fluoro-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridin-4-yl]oxy-2-(5-fluoro-2-pyridinyl)ethanol
CID 164920337
6-[(Z)-1-amino-3-(1-cyanopiperidin-4-yl)iminobut-1-en-2-yl]-4-(1-cyclopropylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164920720

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethoxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethoxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 169267257) is 4-[1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethoxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethoxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethoxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile is CC(=N\C1CCNCC1)/C(=N\N)c1cc(OC(C)c2cncc3c2ccn3C)c2c(C#N)cnn2c1.
What is the InChIKey of 4-[1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethoxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is UYHHCHRGCVSTKV-SLKZRMSRSA-N. The full InChI is InChI=1S/C26H29N9O/c1-16(32-20-4-7-29-8-5-20)25(33-28)18-10-24(26-19(11-27)12-31-35(26)15-18)36-17(2)22-13-30-14-23-21(22)6-9-34(23)3/h6,9-10,12-15,17,20,29H,4-5,7-8,28H2,1-3H3/b32-16+,33-25+.
What are the key properties of 4-[1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethoxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethoxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 483.58 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethoxy]-6-(2-piperidin-4-yliminopropanehydrazonoyl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 169267257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).