4-[5-[3-cyano-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide

C24H29N7O3 — CID 134437030

IUPAC4-[5-[3-cyano-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCN(c2ccc(-c3cc(OCCO)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C24H29N7O3/c1-17(2)13-27-24(33)30-7-5-29(6-8-30)22-4-3-18(14-26-22)21-11-20(34-10-9-32)16-31-23(21)19(12-25)15-28-31/h3-4,11,14-17,32H,5-10,13H2,1-2H3,(H,27,33)
InChIKeyCCSAPNDGFOXCCO-UHFFFAOYSA-N
MW463.54 g/mol
LogP2.13
Rot. Bonds7

About 4-[5-[3-cyano-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide

4-[5-[3-cyano-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide (PubChem CID 134437030) has the molecular formula C24H29N7O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is 4-[5-[3-cyano-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[5-[3-cyano-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide
PubChem CID134437030
Molecular FormulaC24H29N7O3
Molecular Weight463.54 g/mol
Exact Mass463.23
IUPAC Name4-[5-[3-cyano-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCN(c2ccc(-c3cc(OCCO)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C24H29N7O3/c1-17(2)13-27-24(33)30-7-5-29(6-8-30)22-4-3-18(14-26-22)21-11-20(34-10-9-32)16-31-23(21)19(12-25)15-28-31/h3-4,11,14-17,32H,5-10,13H2,1-2H3,(H,27,33)
InChIKeyCCSAPNDGFOXCCO-UHFFFAOYSA-N
XLogP2.13
TPSA119.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[5-[3-cyano-6-[(2S)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 134436391
4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 126740093
6-ethoxy-4-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436826
6-(2-hydroxyethoxy)-4-[6-[4-methyl-4-(3-methyl-2-oxobutyl)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 157315572
1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-ethyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 134436096
4-[6-(4-amino-4-methylpiperidin-1-yl)-3-pyridinyl]-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435583
4-[6-[4-[(2R)-2-(dimethylamino)-4-methylpentanoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436504
[(2R)-1-[4-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazin-1-yl]-4-methyl-1-oxopentan-2-yl]carbamic acid
CID 134496241
6-ethoxy-4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146668378
4-[6-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-3-pyridinyl]-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435413
6-(2-methylbutoxy)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164737653
6-(2-methoxypropoxy)-4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134437076

Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-cyano-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide?
The IUPAC name of 4-[5-[3-cyano-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide (CID 134437030) is 4-[5-[3-cyano-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[5-[3-cyano-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[5-[3-cyano-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide is CC(C)CNC(=O)N1CCN(c2ccc(-c3cc(OCCO)cn4ncc(C#N)c34)cn2)CC1.
What is the InChIKey of 4-[5-[3-cyano-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide?
The InChIKey is CCSAPNDGFOXCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O3/c1-17(2)13-27-24(33)30-7-5-29(6-8-30)22-4-3-18(14-26-22)21-11-20(34-10-9-32)16-31-23(21)19(12-25)15-28-31/h3-4,11,14-17,32H,5-10,13H2,1-2H3,(H,27,33).
What are the key properties of 4-[5-[3-cyano-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide?
4-[5-[3-cyano-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide has a molecular weight of 463.54 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-cyano-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 134437030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).