(4E)-5-methylidene-4-[[5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one

C23H25N7O — CID 160731850

IUPAC(4E)-5-methylidene-4-[[5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one
SMILESC=C1NC(=O)C/C1=C\c1cnn2ccc(Nc3cccc(N4CCN(C)CC4)c3)nc12
InChIInChI=1S/C23H25N7O/c1-16-17(13-22(31)25-16)12-18-15-24-30-7-6-21(27-23(18)30)26-19-4-3-5-20(14-19)29-10-8-28(2)9-11-29/h3-7,12,14-15H,1,8-11,13H2,2H3,(H,25,31)(H,26,27)/b17-12+
InChIKeyGCWIDDNOGMDTNR-SFQUDFHCSA-N
MW415.50 g/mol
LogP2.64
Rot. Bonds4

About (4E)-5-methylidene-4-[[5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one

(4E)-5-methylidene-4-[[5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one (PubChem CID 160731850) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is (4E)-5-methylidene-4-[[5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one.

Molecular Properties

Compound Name(4E)-5-methylidene-4-[[5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one
PubChem CID160731850
Molecular FormulaC23H25N7O
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC Name(4E)-5-methylidene-4-[[5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one
SMILESC=C1NC(=O)C/C1=C\c1cnn2ccc(Nc3cccc(N4CCN(C)CC4)c3)nc12
InChIInChI=1S/C23H25N7O/c1-16-17(13-22(31)25-16)12-18-15-24-30-7-6-21(27-23(18)30)26-19-4-3-5-20(14-19)29-10-8-28(2)9-11-29/h3-7,12,14-15H,1,8-11,13H2,2H3,(H,25,31)(H,26,27)/b17-12+
InChIKeyGCWIDDNOGMDTNR-SFQUDFHCSA-N
XLogP2.64
TPSA77.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (4E)-5-methylidene-4-[[5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one with MolForge

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Related Compounds

Azd-7648
CID 135151360
N-(3-(8-cyano-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazin-2-ylamino)phenyl)acetamide
CID 23656870
Acetamide, N-[2-[(2-aminoethyl)methylamino]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]-
CID 56946894
Acetamide, N-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[[2-(dimethylamino)ethyl]methylamino]phenyl]-
CID 76321032
2-(4-Ethylpiperazin-1-yl)-4-(phenylamino)pyrazolo[1,5-a][1,3,5]triazine-8-carbonitrile
CID 24779677
(3S)-3-benzyl-3-methyl-5-[5-(2-methylpyrimidin-5-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-1H-indol-2-one
CID 145946114
2-(4-methylpiperazin-1-yl)-N-[6-(1H-pyrazol-1-yl)-2-(pyridin-2-yl)pyrimidin-4-yl]acetamide
CID 24768411
N-{6-[(2s)-2-Methylpyrrolidin-1-Yl]pyridin-2-Yl}-6-Phenylimidazo[1,2-B]pyridazin-8-Amine
CID 71525988
1,3-Dimethyl-7-[4-(2-methyl-imidazo[4,5-c]pyridin-1-yl)-phenyl]-4,6-dihydro-1H-pyrazolo[3,4-b][1,4]diazepin-5-one
CID 10068655
5-(2-phenylethylamino)-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 58182164
US10774086, Example 9
CID 134551591
US10407446, Example 13
CID 135151301

Frequently Asked Questions

What is the IUPAC name of (4E)-5-methylidene-4-[[5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one?
The IUPAC name of (4E)-5-methylidene-4-[[5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one (CID 160731850) is (4E)-5-methylidene-4-[[5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one.
What is the SMILES notation for (4E)-5-methylidene-4-[[5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one?
The canonical SMILES for (4E)-5-methylidene-4-[[5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one is C=C1NC(=O)C/C1=C\c1cnn2ccc(Nc3cccc(N4CCN(C)CC4)c3)nc12.
What is the InChIKey of (4E)-5-methylidene-4-[[5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one?
The InChIKey is GCWIDDNOGMDTNR-SFQUDFHCSA-N. The full InChI is InChI=1S/C23H25N7O/c1-16-17(13-22(31)25-16)12-18-15-24-30-7-6-21(27-23(18)30)26-19-4-3-5-20(14-19)29-10-8-28(2)9-11-29/h3-7,12,14-15H,1,8-11,13H2,2H3,(H,25,31)(H,26,27)/b17-12+.
What are the key properties of (4E)-5-methylidene-4-[[5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one?
(4E)-5-methylidene-4-[[5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one has a molecular weight of 415.50 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5-methylidene-4-[[5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one is sourced from PubChem (CID 160731850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).