6-[1-(difluoromethyl)pyrazol-4-yl]-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride

C21H20Cl2F2N8 — CID 135150199

IUPAC6-[1-(difluoromethyl)pyrazol-4-yl]-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride
SMILESCl.Cl.N#Cc1cnn2cc(-c3cnn(C(F)F)c3)cc(-c3ccc(N4CCNCC4)nc3)c12
InChIInChI=1S/C21H18F2N8.2ClH/c22-21(23)31-13-17(11-28-31)15-7-18(20-16(8-24)10-27-30(20)12-15)14-1-2-19(26-9-14)29-5-3-25-4-6-29;;/h1-2,7,9-13,21,25H,3-6H2;2*1H
InChIKeyMVBMTFAZZSEKTL-UHFFFAOYSA-N
MW493.35 g/mol
LogP3.78
Rot. Bonds4

About 6-[1-(difluoromethyl)pyrazol-4-yl]-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride

6-[1-(difluoromethyl)pyrazol-4-yl]-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride (PubChem CID 135150199) has the molecular formula C21H20Cl2F2N8 and a molecular weight of 493.35 g/mol. Its IUPAC name is 6-[1-(difluoromethyl)pyrazol-4-yl]-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride.

Molecular Properties

Compound Name6-[1-(difluoromethyl)pyrazol-4-yl]-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride
PubChem CID135150199
Molecular FormulaC21H20Cl2F2N8
Molecular Weight493.35 g/mol
Exact Mass492.12
IUPAC Name6-[1-(difluoromethyl)pyrazol-4-yl]-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride
SMILESCl.Cl.N#Cc1cnn2cc(-c3cnn(C(F)F)c3)cc(-c3ccc(N4CCNCC4)nc3)c12
InChIInChI=1S/C21H18F2N8.2ClH/c22-21(23)31-13-17(11-28-31)15-7-18(20-16(8-24)10-27-30(20)12-15)14-1-2-19(26-9-14)29-5-3-25-4-6-29;;/h1-2,7,9-13,21,25H,3-6H2;2*1H
InChIKeyMVBMTFAZZSEKTL-UHFFFAOYSA-N
XLogP3.78
TPSA87.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.35
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

chloro hypochlorite;6-(1-methylpyrazol-4-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155267110
6-ethoxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435378
4-[6-(2,7-diazaspiro[4.4]nonan-2-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740161
6-[(Z)-1-amino-2-[amino(methyl)amino]ethenyl]-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155275559
6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[6-[(4-ethylphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 167600131
4-(2-cyano-4-fluorophenyl)sulfanyl-6-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847950
6-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-ylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride
CID 135150240
tert-butyl 3-[5-[3-cyano-6-[1-(difluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
CID 155576293
6-[1-(difluoromethyl)pyrazol-4-yl]-4-[6-[3-(4-ethynyl-2-fluorophenoxy)azetidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146660286
tert-butyl 3-[5-[3-cyano-6-[1-(difluoromethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,6-diazabicyclo[3.2.1]octane-6-carboxylate
CID 155576271
4-[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]-6-(1-piperidin-4-ylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 167567590
4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride
CID 155388164

Frequently Asked Questions

What is the IUPAC name of 6-[1-(difluoromethyl)pyrazol-4-yl]-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride?
The IUPAC name of 6-[1-(difluoromethyl)pyrazol-4-yl]-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride (CID 135150199) is 6-[1-(difluoromethyl)pyrazol-4-yl]-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride.
What is the SMILES notation for 6-[1-(difluoromethyl)pyrazol-4-yl]-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride?
The canonical SMILES for 6-[1-(difluoromethyl)pyrazol-4-yl]-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride is Cl.Cl.N#Cc1cnn2cc(-c3cnn(C(F)F)c3)cc(-c3ccc(N4CCNCC4)nc3)c12.
What is the InChIKey of 6-[1-(difluoromethyl)pyrazol-4-yl]-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride?
The InChIKey is MVBMTFAZZSEKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N8.2ClH/c22-21(23)31-13-17(11-28-31)15-7-18(20-16(8-24)10-27-30(20)12-15)14-1-2-19(26-9-14)29-5-3-25-4-6-29;;/h1-2,7,9-13,21,25H,3-6H2;2*1H.
What are the key properties of 6-[1-(difluoromethyl)pyrazol-4-yl]-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride?
6-[1-(difluoromethyl)pyrazol-4-yl]-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride has a molecular weight of 493.35 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(difluoromethyl)pyrazol-4-yl]-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride is sourced from PubChem (CID 135150199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).