4-(2-bromo-3-cyanophenyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile

C19H15BrN6 — CID 135583996

IUPAC4-(2-bromo-3-cyanophenyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESN#CC1=C(C2=CCCNC2)Nc2[nH]ncc2C1c1cccc(C#N)c1Br
InChIInChI=1S/C19H15BrN6/c20-17-11(7-21)3-1-5-13(17)16-14(8-22)18(12-4-2-6-23-9-12)25-19-15(16)10-24-26-19/h1,3-5,10,16,23H,2,6,9H2,(H2,24,25,26)
InChIKeyNQPNVDRRVIEBAR-UHFFFAOYSA-N
MW407.28 g/mol
LogP3.30
Rot. Bonds2

About 4-(2-bromo-3-cyanophenyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile

4-(2-bromo-3-cyanophenyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 135583996) has the molecular formula C19H15BrN6 and a molecular weight of 407.28 g/mol. Its IUPAC name is 4-(2-bromo-3-cyanophenyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(2-bromo-3-cyanophenyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID135583996
Molecular FormulaC19H15BrN6
Molecular Weight407.28 g/mol
Exact Mass406.05
IUPAC Name4-(2-bromo-3-cyanophenyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESN#CC1=C(C2=CCCNC2)Nc2[nH]ncc2C1c1cccc(C#N)c1Br
InChIInChI=1S/C19H15BrN6/c20-17-11(7-21)3-1-5-13(17)16-14(8-22)18(12-4-2-6-23-9-12)25-19-15(16)10-24-26-19/h1,3-5,10,16,23H,2,6,9H2,(H2,24,25,26)
InChIKeyNQPNVDRRVIEBAR-UHFFFAOYSA-N
XLogP3.30
TPSA100.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.28
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(2-bromo-3-cyanophenyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-3-cyanophenyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 4-(2-bromo-3-cyanophenyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 135583996) is 4-(2-bromo-3-cyanophenyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-(2-bromo-3-cyanophenyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-(2-bromo-3-cyanophenyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is N#CC1=C(C2=CCCNC2)Nc2[nH]ncc2C1c1cccc(C#N)c1Br.
What is the InChIKey of 4-(2-bromo-3-cyanophenyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is NQPNVDRRVIEBAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN6/c20-17-11(7-21)3-1-5-13(17)16-14(8-22)18(12-4-2-6-23-9-12)25-19-15(16)10-24-26-19/h1,3-5,10,16,23H,2,6,9H2,(H2,24,25,26).
What are the key properties of 4-(2-bromo-3-cyanophenyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
4-(2-bromo-3-cyanophenyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 407.28 g/mol, XLogP of 3.30, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-3-cyanophenyl)-6-(1,2,3,6-tetrahydropyridin-5-yl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 135583996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).