6-[(4S)-4-hydroxyoxolan-3-yl]oxy-4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C26H28N6O4 — CID 146667122

IUPAC6-[(4S)-4-hydroxyoxolan-3-yl]oxy-4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC=CC(C)C(=O)N1CCN(c2ccc(-c3cc(OC4COC[C@@H]4O)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C26H28N6O4/c1-3-17(2)26(34)31-8-6-30(7-9-31)24-5-4-18(12-28-24)21-10-20(36-23-16-35-15-22(23)33)14-32-25(21)19(11-27)13-29-32/h3-5,10,12-14,17,22-23,33H,1,6-9,15-16H2,2H3/t17?,22-,23?/m0/s1
InChIKeyQPVYDJVNSATGBN-ZVSMTPAHSA-N
MW488.55 g/mol
LogP1.88
Rot. Bonds6

About 6-[(4S)-4-hydroxyoxolan-3-yl]oxy-4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-[(4S)-4-hydroxyoxolan-3-yl]oxy-4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 146667122) has the molecular formula C26H28N6O4 and a molecular weight of 488.55 g/mol. Its IUPAC name is 6-[(4S)-4-hydroxyoxolan-3-yl]oxy-4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(4S)-4-hydroxyoxolan-3-yl]oxy-4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID146667122
Molecular FormulaC26H28N6O4
Molecular Weight488.55 g/mol
Exact Mass488.22
IUPAC Name6-[(4S)-4-hydroxyoxolan-3-yl]oxy-4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC=CC(C)C(=O)N1CCN(c2ccc(-c3cc(OC4COC[C@@H]4O)cn4ncc(C#N)c34)cn2)CC1
InChIInChI=1S/C26H28N6O4/c1-3-17(2)26(34)31-8-6-30(7-9-31)24-5-4-18(12-28-24)21-10-20(36-23-16-35-15-22(23)33)14-32-25(21)19(11-27)13-29-32/h3-5,10,12-14,17,22-23,33H,1,6-9,15-16H2,2H3/t17?,22-,23?/m0/s1
InChIKeyQPVYDJVNSATGBN-ZVSMTPAHSA-N
XLogP1.88
TPSA116.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.55
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-ethoxy-4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146668378
6-[(4S)-4-hydroxyoxolan-3-yl]oxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134506720
4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]-6-[[(2S,5R)-5-methylmorpholin-2-yl]methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146667116
6-(1,5-dimethylpyrazol-4-yl)-4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146660508
6-ethoxy-4-[6-[2-(2-methylbut-3-enoyl)-1,3,5,7,8,8a-hexahydroimidazo[1,5-c]pyrimidin-6-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146667037
6-ethoxy-4-[6-[4-(3-methylbutanoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436826
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-methoxy-4-[6-[4-(2-methylprop-2-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146668471
6-(2-methylbutoxy)-4-[6-(4-prop-2-ynoylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164737653
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-[6-[4-(4-ethenylpyridine-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146667206

Frequently Asked Questions

What is the IUPAC name of 6-[(4S)-4-hydroxyoxolan-3-yl]oxy-4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-[(4S)-4-hydroxyoxolan-3-yl]oxy-4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 146667122) is 6-[(4S)-4-hydroxyoxolan-3-yl]oxy-4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(4S)-4-hydroxyoxolan-3-yl]oxy-4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(4S)-4-hydroxyoxolan-3-yl]oxy-4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is C=CC(C)C(=O)N1CCN(c2ccc(-c3cc(OC4COC[C@@H]4O)cn4ncc(C#N)c34)cn2)CC1.
What is the InChIKey of 6-[(4S)-4-hydroxyoxolan-3-yl]oxy-4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is QPVYDJVNSATGBN-ZVSMTPAHSA-N. The full InChI is InChI=1S/C26H28N6O4/c1-3-17(2)26(34)31-8-6-30(7-9-31)24-5-4-18(12-28-24)21-10-20(36-23-16-35-15-22(23)33)14-32-25(21)19(11-27)13-29-32/h3-5,10,12-14,17,22-23,33H,1,6-9,15-16H2,2H3/t17?,22-,23?/m0/s1.
What are the key properties of 6-[(4S)-4-hydroxyoxolan-3-yl]oxy-4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-[(4S)-4-hydroxyoxolan-3-yl]oxy-4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 488.55 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4S)-4-hydroxyoxolan-3-yl]oxy-4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 146667122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).