6-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-ylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride

C20H21Cl2N9 — CID 135150240

IUPAC6-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-ylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride
SMILESCl.Cl.Cn1cc(-c2cc(-c3cnc(N4CCNCC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C20H19N9.2ClH/c1-27-12-17(11-25-27)14-6-18(19-15(7-21)10-26-29(19)13-14)16-8-23-20(24-9-16)28-4-2-22-3-5-28;;/h6,8-13,22H,2-5H2,1H3;2*1H
InChIKeyRDFTXKOXSFLUGX-UHFFFAOYSA-N
MW458.36 g/mol
LogP2.32
Rot. Bonds3

About 6-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-ylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride

6-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-ylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride (PubChem CID 135150240) has the molecular formula C20H21Cl2N9 and a molecular weight of 458.36 g/mol. Its IUPAC name is 6-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-ylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride.

Molecular Properties

Compound Name6-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-ylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride
PubChem CID135150240
Molecular FormulaC20H21Cl2N9
Molecular Weight458.36 g/mol
Exact Mass457.13
IUPAC Name6-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-ylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride
SMILESCl.Cl.Cn1cc(-c2cc(-c3cnc(N4CCNCC4)nc3)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/C20H19N9.2ClH/c1-27-12-17(11-25-27)14-6-18(19-15(7-21)10-26-29(19)13-14)16-8-23-20(24-9-16)28-4-2-22-3-5-28;;/h6,8-13,22H,2-5H2,1H3;2*1H
InChIKeyRDFTXKOXSFLUGX-UHFFFAOYSA-N
XLogP2.32
TPSA99.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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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-[1-(difluoromethyl)pyrazol-4-yl]-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride
CID 135150199
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
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
chloro hypochlorite;4-[6-(1,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155267096
6-(1-methylpyrazol-4-yl)-4-[6-(4-prop-1-enylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 175933963
4-[6-(1,9-diazaspiro[4.5]decan-9-yl)-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740258
6-(1-methylpyrazol-4-yl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyrazine-3-carbonitrile;dihydrochloride
CID 135241456
4-[6-(4-acetylpiperazin-1-yl)-5-fluoro-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 148500655
ethane;6-(1-methylpyrazol-4-yl)-4-propan-2-ylsulfanylpyrazolo[1,5-a]pyridine-3-carbonitrile;piperidine
CID 171848450
tert-butyl 2-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 175810118
4-[6-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740053

Frequently Asked Questions

What is the IUPAC name of 6-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-ylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride?
The IUPAC name of 6-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-ylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride (CID 135150240) is 6-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-ylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride.
What is the SMILES notation for 6-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-ylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride?
The canonical SMILES for 6-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-ylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride is Cl.Cl.Cn1cc(-c2cc(-c3cnc(N4CCNCC4)nc3)c3c(C#N)cnn3c2)cn1.
What is the InChIKey of 6-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-ylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride?
The InChIKey is RDFTXKOXSFLUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N9.2ClH/c1-27-12-17(11-25-27)14-6-18(19-15(7-21)10-26-29(19)13-14)16-8-23-20(24-9-16)28-4-2-22-3-5-28;;/h6,8-13,22H,2-5H2,1H3;2*1H.
What are the key properties of 6-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-ylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride?
6-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-ylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride has a molecular weight of 458.36 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-ylpyrimidin-5-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride is sourced from PubChem (CID 135150240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).