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

C25H31N7O3 — CID 134436391

IUPAC4-[5-[3-cyano-6-[(2S)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCN(c2ccc(-c3cc(OC[C@H](C)O)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C25H31N7O3/c1-17(2)12-28-25(34)31-8-6-30(7-9-31)23-5-4-19(13-27-23)22-10-21(35-16-18(3)33)15-32-24(22)20(11-26)14-29-32/h4-5,10,13-15,17-18,33H,6-9,12,16H2,1-3H3,(H,28,34)/t18-/m0/s1
InChIKeyQFWNXKPGWXCFTM-SFHVURJKSA-N
MW477.57 g/mol
LogP2.52
Rot. Bonds7

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

4-[5-[3-cyano-6-[(2S)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide (PubChem CID 134436391) has the molecular formula C25H31N7O3 and a molecular weight of 477.57 g/mol. Its IUPAC name is 4-[5-[3-cyano-6-[(2S)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[5-[3-cyano-6-[(2S)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide
PubChem CID134436391
Molecular FormulaC25H31N7O3
Molecular Weight477.57 g/mol
Exact Mass477.25
IUPAC Name4-[5-[3-cyano-6-[(2S)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCN(c2ccc(-c3cc(OC[C@H](C)O)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C25H31N7O3/c1-17(2)12-28-25(34)31-8-6-30(7-9-31)23-5-4-19(13-27-23)22-10-21(35-16-18(3)33)15-32-24(22)20(11-26)14-29-32/h4-5,10,13-15,17-18,33H,6-9,12,16H2,1-3H3,(H,28,34)/t18-/m0/s1
InChIKeyQFWNXKPGWXCFTM-SFHVURJKSA-N
XLogP2.52
TPSA119.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-[5-[3-cyano-6-(2-hydroxyethoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 134437030
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-[(2S)-2-hydroxypropoxy]-4-[6-[4-[(5-methoxy-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436657
4-[6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]-6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436916
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
1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-ethyl-N-(2-methylpropyl)piperidine-4-carboxamide
CID 134436096
6-[(2R)-2-hydroxybutoxy]-4-[6-[4-(2-phenylacetyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134510617
4-[6-[4-[(2R)-2-(dimethylamino)-4-methylpentanoyl]piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436504
6-(2-hydroxypropoxy)-4-[6-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436380
[(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

Frequently Asked Questions

What is the IUPAC name of 4-[5-[3-cyano-6-[(2S)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide?
The IUPAC name of 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) is 4-[5-[3-cyano-6-[(2S)-2-hydroxypropoxy]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-[(2S)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[5-[3-cyano-6-[(2S)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide is CC(C)CNC(=O)N1CCN(c2ccc(-c3cc(OC[C@H](C)O)cn4ncc(C#N)c34)cn2)CC1.
What is the InChIKey of 4-[5-[3-cyano-6-[(2S)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide?
The InChIKey is QFWNXKPGWXCFTM-SFHVURJKSA-N. The full InChI is InChI=1S/C25H31N7O3/c1-17(2)12-28-25(34)31-8-6-30(7-9-31)23-5-4-19(13-27-23)22-10-21(35-16-18(3)33)15-32-24(22)20(11-26)14-29-32/h4-5,10,13-15,17-18,33H,6-9,12,16H2,1-3H3,(H,28,34)/t18-/m0/s1.
What are the key properties of 4-[5-[3-cyano-6-[(2S)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide?
4-[5-[3-cyano-6-[(2S)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide has a molecular weight of 477.57 g/mol, XLogP of 2.52, 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-[(2S)-2-hydroxypropoxy]pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 134436391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).