5-[1-[[6-[(E)-but-1-enyl]-2-pyridinyl]methyl]pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C23H23N7O — CID 135264264

IUPAC5-[1-[[6-[(E)-but-1-enyl]-2-pyridinyl]methyl]pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC/C=C/c1cccc(Cn2cc(-c3nc4c(C#N)c[nH]n4c(=O)c3C(C)C)cn2)n1
InChIInChI=1S/C23H23N7O/c1-4-5-7-18-8-6-9-19(27-18)14-29-13-17(12-25-29)21-20(15(2)3)23(31)30-22(28-21)16(10-24)11-26-30/h5-9,11-13,15,26H,4,14H2,1-3H3/b7-5+
InChIKeyYQHDSMKKCLNLLR-FNORWQNLSA-N
MW413.49 g/mol
LogP3.75
Rot. Bonds6

About 5-[1-[[6-[(E)-but-1-enyl]-2-pyridinyl]methyl]pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

5-[1-[[6-[(E)-but-1-enyl]-2-pyridinyl]methyl]pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 135264264) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is 5-[1-[[6-[(E)-but-1-enyl]-2-pyridinyl]methyl]pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5-[1-[[6-[(E)-but-1-enyl]-2-pyridinyl]methyl]pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID135264264
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC Name5-[1-[[6-[(E)-but-1-enyl]-2-pyridinyl]methyl]pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC/C=C/c1cccc(Cn2cc(-c3nc4c(C#N)c[nH]n4c(=O)c3C(C)C)cn2)n1
InChIInChI=1S/C23H23N7O/c1-4-5-7-18-8-6-9-19(27-18)14-29-13-17(12-25-29)21-20(15(2)3)23(31)30-22(28-21)16(10-24)11-26-30/h5-9,11-13,15,26H,4,14H2,1-3H3/b7-5+
InChIKeyYQHDSMKKCLNLLR-FNORWQNLSA-N
XLogP3.75
TPSA104.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[1-[[6-[(E)-but-1-enyl]-2-pyridinyl]methyl]pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile with MolForge

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Related Compounds

5-(1-benzylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454627
7-oxo-6-propan-2-yl-5-[1-(1,3-thiazol-4-ylmethyl)pyrazol-4-yl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454685
7-oxo-6-propan-2-yl-5-[1-(thiophen-3-ylmethyl)pyrazol-4-yl]-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454665
5-(1-methylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454574
5-[1-(2-cyclopropylethyl)pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454617
7-oxo-5-(1-phenylpyrazol-4-yl)-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454565
5-(1-cyclopropylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 155533785
5-[3-(hydroxymethyl)phenyl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454579
5-(4-aminophenyl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454741
3-(3-cyano-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-5-yl)-N-propylbenzamide
CID 123418283
7-oxo-6-propan-2-yl-5-(3-pyrazol-1-ylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454849
5-(3-cyano-4-methylphenyl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454641

Frequently Asked Questions

What is the IUPAC name of 5-[1-[[6-[(E)-but-1-enyl]-2-pyridinyl]methyl]pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5-[1-[[6-[(E)-but-1-enyl]-2-pyridinyl]methyl]pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 135264264) is 5-[1-[[6-[(E)-but-1-enyl]-2-pyridinyl]methyl]pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5-[1-[[6-[(E)-but-1-enyl]-2-pyridinyl]methyl]pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5-[1-[[6-[(E)-but-1-enyl]-2-pyridinyl]methyl]pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is CC/C=C/c1cccc(Cn2cc(-c3nc4c(C#N)c[nH]n4c(=O)c3C(C)C)cn2)n1.
What is the InChIKey of 5-[1-[[6-[(E)-but-1-enyl]-2-pyridinyl]methyl]pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is YQHDSMKKCLNLLR-FNORWQNLSA-N. The full InChI is InChI=1S/C23H23N7O/c1-4-5-7-18-8-6-9-19(27-18)14-29-13-17(12-25-29)21-20(15(2)3)23(31)30-22(28-21)16(10-24)11-26-30/h5-9,11-13,15,26H,4,14H2,1-3H3/b7-5+.
What are the key properties of 5-[1-[[6-[(E)-but-1-enyl]-2-pyridinyl]methyl]pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5-[1-[[6-[(E)-but-1-enyl]-2-pyridinyl]methyl]pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 413.49 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[[6-[(E)-but-1-enyl]-2-pyridinyl]methyl]pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 135264264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).