5-[5-[1-[4-cyano-N-(cyclopropen-1-yl)anilino]ethenyl]pyrazolo[1,5-a]pyridin-3-yl]cyclohepta-1,3,6-triene-1-carboxamide

C27H21N5O — CID 163720257

IUPAC5-[5-[1-[4-cyano-N-(cyclopropen-1-yl)anilino]ethenyl]pyrazolo[1,5-a]pyridin-3-yl]cyclohepta-1,3,6-triene-1-carboxamide
SMILESC=C(c1ccn2ncc(C3C=CC=C(C(N)=O)C=C3)c2c1)N(C1=CC1)c1ccc(C#N)cc1
InChIInChI=1S/C27H21N5O/c1-18(32(24-11-12-24)23-9-5-19(16-28)6-10-23)22-13-14-31-26(15-22)25(17-30-31)20-3-2-4-21(8-7-20)27(29)33/h2-11,13-15,17,20H,1,12H2,(H2,29,33)
InChIKeyKQXRVVGVDZHYDQ-UHFFFAOYSA-N
MW431.50 g/mol
LogP4.59
Rot. Bonds6

About 5-[5-[1-[4-cyano-N-(cyclopropen-1-yl)anilino]ethenyl]pyrazolo[1,5-a]pyridin-3-yl]cyclohepta-1,3,6-triene-1-carboxamide

5-[5-[1-[4-cyano-N-(cyclopropen-1-yl)anilino]ethenyl]pyrazolo[1,5-a]pyridin-3-yl]cyclohepta-1,3,6-triene-1-carboxamide (PubChem CID 163720257) has the molecular formula C27H21N5O and a molecular weight of 431.50 g/mol. Its IUPAC name is 5-[5-[1-[4-cyano-N-(cyclopropen-1-yl)anilino]ethenyl]pyrazolo[1,5-a]pyridin-3-yl]cyclohepta-1,3,6-triene-1-carboxamide.

Molecular Properties

Compound Name5-[5-[1-[4-cyano-N-(cyclopropen-1-yl)anilino]ethenyl]pyrazolo[1,5-a]pyridin-3-yl]cyclohepta-1,3,6-triene-1-carboxamide
PubChem CID163720257
Molecular FormulaC27H21N5O
Molecular Weight431.50 g/mol
Exact Mass431.17
IUPAC Name5-[5-[1-[4-cyano-N-(cyclopropen-1-yl)anilino]ethenyl]pyrazolo[1,5-a]pyridin-3-yl]cyclohepta-1,3,6-triene-1-carboxamide
SMILESC=C(c1ccn2ncc(C3C=CC=C(C(N)=O)C=C3)c2c1)N(C1=CC1)c1ccc(C#N)cc1
InChIInChI=1S/C27H21N5O/c1-18(32(24-11-12-24)23-9-5-19(16-28)6-10-23)22-13-14-31-26(15-22)25(17-30-31)20-3-2-4-21(8-7-20)27(29)33/h2-11,13-15,17,20H,1,12H2,(H2,29,33)
InChIKeyKQXRVVGVDZHYDQ-UHFFFAOYSA-N
XLogP4.59
TPSA87.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[5-[1-[4-cyano-N-(cyclopropen-1-yl)anilino]ethenyl]pyrazolo[1,5-a]pyridin-3-yl]cyclohepta-1,3,6-triene-1-carboxamide with MolForge

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Related Compounds

3-[4-(2-aminopropanoylamino)cyclohexa-2,4-dien-1-yl]-N-(4-cyanophenyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide
CID 144630321
3-(6-carbamoyl-3-pyridinyl)-N-(4-cyanophenyl)-N-cyclopropylpyrazolo[1,5-a]pyridine-5-carboxamide
CID 90157223
5-cyanopyrazolo[1,5-a]pyridine-3-carboxamide
CID 130664445
3-bromopyrazolo[1,5-a]pyridine-5-carboxamide
CID 171597831
3-[5-(aminomethyl)-2-pyridinyl]-N-(4-cyanophenyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide
CID 151947984
3-formylpyrazolo[1,5-a]pyridine-5-carboxamide
CID 25171438
tert-butyl N-(N-(3-bromopyrazolo[1,5-a]pyridine-5-carbonyl)-4-cyanoanilino)-N-methylcarbamate
CID 90175920
N-(5-cyano-2-pyridinyl)-N-prop-1-en-2-yl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide
CID 163766426
1-(4-cyano-2-fluorophenyl)pyrazole-4-carboxamide
CID 64782907
3-propan-2-ylpyrazolo[1,5-a]pyridine-5-carbonitrile
CID 169163184
6-(4-cyanophenyl)-4-(1-cyclopropylethylamino)pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 77487439
3-(5-amino-6-chloro-3-pyridinyl)-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide
CID 90157076

Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-[4-cyano-N-(cyclopropen-1-yl)anilino]ethenyl]pyrazolo[1,5-a]pyridin-3-yl]cyclohepta-1,3,6-triene-1-carboxamide?
The IUPAC name of 5-[5-[1-[4-cyano-N-(cyclopropen-1-yl)anilino]ethenyl]pyrazolo[1,5-a]pyridin-3-yl]cyclohepta-1,3,6-triene-1-carboxamide (CID 163720257) is 5-[5-[1-[4-cyano-N-(cyclopropen-1-yl)anilino]ethenyl]pyrazolo[1,5-a]pyridin-3-yl]cyclohepta-1,3,6-triene-1-carboxamide.
What is the SMILES notation for 5-[5-[1-[4-cyano-N-(cyclopropen-1-yl)anilino]ethenyl]pyrazolo[1,5-a]pyridin-3-yl]cyclohepta-1,3,6-triene-1-carboxamide?
The canonical SMILES for 5-[5-[1-[4-cyano-N-(cyclopropen-1-yl)anilino]ethenyl]pyrazolo[1,5-a]pyridin-3-yl]cyclohepta-1,3,6-triene-1-carboxamide is C=C(c1ccn2ncc(C3C=CC=C(C(N)=O)C=C3)c2c1)N(C1=CC1)c1ccc(C#N)cc1.
What is the InChIKey of 5-[5-[1-[4-cyano-N-(cyclopropen-1-yl)anilino]ethenyl]pyrazolo[1,5-a]pyridin-3-yl]cyclohepta-1,3,6-triene-1-carboxamide?
The InChIKey is KQXRVVGVDZHYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5O/c1-18(32(24-11-12-24)23-9-5-19(16-28)6-10-23)22-13-14-31-26(15-22)25(17-30-31)20-3-2-4-21(8-7-20)27(29)33/h2-11,13-15,17,20H,1,12H2,(H2,29,33).
What are the key properties of 5-[5-[1-[4-cyano-N-(cyclopropen-1-yl)anilino]ethenyl]pyrazolo[1,5-a]pyridin-3-yl]cyclohepta-1,3,6-triene-1-carboxamide?
5-[5-[1-[4-cyano-N-(cyclopropen-1-yl)anilino]ethenyl]pyrazolo[1,5-a]pyridin-3-yl]cyclohepta-1,3,6-triene-1-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-[4-cyano-N-(cyclopropen-1-yl)anilino]ethenyl]pyrazolo[1,5-a]pyridin-3-yl]cyclohepta-1,3,6-triene-1-carboxamide is sourced from PubChem (CID 163720257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).