4-[5-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride

C25H33Cl2N7O2 — CID 134496945

IUPAC4-[5-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride
SMILESCC1(N)CCN(c2ccc(-c3cc(OCCN4CCOCC4)cn4ncc(C#N)c34)nc2)CC1.Cl.Cl
InChIInChI=1S/C25H31N7O2.2ClH/c1-25(27)4-6-31(7-5-25)20-2-3-23(28-17-20)22-14-21(18-32-24(22)19(15-26)16-29-32)34-13-10-30-8-11-33-12-9-30;;/h2-3,14,16-18H,4-13,27H2,1H3;2*1H
InChIKeyDBDBHSGRWVOTMK-UHFFFAOYSA-N
MW534.49 g/mol
LogP3.14
Rot. Bonds6

About 4-[5-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride

4-[5-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride (PubChem CID 134496945) has the molecular formula C25H33Cl2N7O2 and a molecular weight of 534.49 g/mol. Its IUPAC name is 4-[5-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride.

Molecular Properties

Compound Name4-[5-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride
PubChem CID134496945
Molecular FormulaC25H33Cl2N7O2
Molecular Weight534.49 g/mol
Exact Mass533.21
IUPAC Name4-[5-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride
SMILESCC1(N)CCN(c2ccc(-c3cc(OCCN4CCOCC4)cn4ncc(C#N)c34)nc2)CC1.Cl.Cl
InChIInChI=1S/C25H31N7O2.2ClH/c1-25(27)4-6-31(7-5-25)20-2-3-23(28-17-20)22-14-21(18-32-24(22)19(15-26)16-29-32)34-13-10-30-8-11-33-12-9-30;;/h2-3,14,16-18H,4-13,27H2,1H3;2*1H
InChIKeyDBDBHSGRWVOTMK-UHFFFAOYSA-N
XLogP3.14
TPSA104.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-[5-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435657
4-[6-(1,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride
CID 134496096
N'-[(E)-2-(4-amino-4-methylpiperidin-1-yl)prop-1-enyl]-3-cyano-N-methylidene-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-4-carboximidamide
CID 155455871
4-[6-(4-amino-4-methylpiperidin-1-yl)-3-pyridinyl]-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435583
1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methyl-N-[(2S)-3-methylbutan-2-yl]piperidine-4-carboxamide;sulfane
CID 162083005
[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]oxyboronic acid
CID 142754833
4-[2-[4-[2-(2-chloro-6-methylphenyl)-2-oxoethyl]-4-methylpiperidin-1-yl]pyrimidin-5-yl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 147053019
4-[6-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)-3-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 167679021
2-chloro-N-[1-[5-[3-cyano-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridin-4-yl]pyrimidin-2-yl]-4-methylpiperidin-4-yl]-5-fluorobenzamide
CID 134434852
1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-(2-morpholin-4-ylethoxymethyl)piperidine-4-carboxylic acid
CID 134434541
6-(2-morpholin-4-ylethoxy)-4-[6-(3-pyridin-2-yloxyazetidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435148
4-[6-[4-(3,4-dimethyl-2-oxopentyl)-4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146983167

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride?
The IUPAC name of 4-[5-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride (CID 134496945) is 4-[5-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride.
What is the SMILES notation for 4-[5-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride?
The canonical SMILES for 4-[5-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride is CC1(N)CCN(c2ccc(-c3cc(OCCN4CCOCC4)cn4ncc(C#N)c34)nc2)CC1.Cl.Cl.
What is the InChIKey of 4-[5-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride?
The InChIKey is DBDBHSGRWVOTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O2.2ClH/c1-25(27)4-6-31(7-5-25)20-2-3-23(28-17-20)22-14-21(18-32-24(22)19(15-26)16-29-32)34-13-10-30-8-11-33-12-9-30;;/h2-3,14,16-18H,4-13,27H2,1H3;2*1H.
What are the key properties of 4-[5-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride?
4-[5-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride has a molecular weight of 534.49 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-amino-4-methylpiperidin-1-yl)-2-pyridinyl]-6-(2-morpholin-4-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;dihydrochloride is sourced from PubChem (CID 134496945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).