3-[3-(4,5-dihydro-1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-[1-(4-phosphanylphenyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidin-2-one

C25H27N8OP — CID 170203037

IUPAC3-[3-(4,5-dihydro-1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-[1-(4-phosphanylphenyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidin-2-one
SMILESCC(C)c1c(N2CCC(n3nc(C4=NCCN4)c4cccnc43)C2=O)cnn1-c1ccc(P)cc1
InChIInChI=1S/C25H27N8OP/c1-15(2)22-20(14-29-32(22)16-5-7-17(35)8-6-16)31-13-9-19(25(31)34)33-24-18(4-3-10-28-24)21(30-33)23-26-11-12-27-23/h3-8,10,14-15,19H,9,11-13,35H2,1-2H3,(H,26,27)
InChIKeyDVGJRVKKMJKAOL-UHFFFAOYSA-N
MW486.52 g/mol
LogP2.57
Rot. Bonds5

About 3-[3-(4,5-dihydro-1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-[1-(4-phosphanylphenyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidin-2-one

3-[3-(4,5-dihydro-1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-[1-(4-phosphanylphenyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidin-2-one (PubChem CID 170203037) has the molecular formula C25H27N8OP and a molecular weight of 486.52 g/mol. Its IUPAC name is 3-[3-(4,5-dihydro-1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-[1-(4-phosphanylphenyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[3-(4,5-dihydro-1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-[1-(4-phosphanylphenyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidin-2-one
PubChem CID170203037
Molecular FormulaC25H27N8OP
Molecular Weight486.52 g/mol
Exact Mass486.20
IUPAC Name3-[3-(4,5-dihydro-1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-[1-(4-phosphanylphenyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidin-2-one
SMILESCC(C)c1c(N2CCC(n3nc(C4=NCCN4)c4cccnc43)C2=O)cnn1-c1ccc(P)cc1
InChIInChI=1S/C25H27N8OP/c1-15(2)22-20(14-29-32(22)16-5-7-17(35)8-6-16)31-13-9-19(25(31)34)33-24-18(4-3-10-28-24)21(30-33)23-26-11-12-27-23/h3-8,10,14-15,19H,9,11-13,35H2,1-2H3,(H,26,27)
InChIKeyDVGJRVKKMJKAOL-UHFFFAOYSA-N
XLogP2.57
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.52
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4,5-dihydro-1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-[1-(4-phosphanylphenyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidin-2-one?
The IUPAC name of 3-[3-(4,5-dihydro-1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-[1-(4-phosphanylphenyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidin-2-one (CID 170203037) is 3-[3-(4,5-dihydro-1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-[1-(4-phosphanylphenyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 3-[3-(4,5-dihydro-1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-[1-(4-phosphanylphenyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidin-2-one?
The canonical SMILES for 3-[3-(4,5-dihydro-1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-[1-(4-phosphanylphenyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidin-2-one is CC(C)c1c(N2CCC(n3nc(C4=NCCN4)c4cccnc43)C2=O)cnn1-c1ccc(P)cc1.
What is the InChIKey of 3-[3-(4,5-dihydro-1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-[1-(4-phosphanylphenyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidin-2-one?
The InChIKey is DVGJRVKKMJKAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N8OP/c1-15(2)22-20(14-29-32(22)16-5-7-17(35)8-6-16)31-13-9-19(25(31)34)33-24-18(4-3-10-28-24)21(30-33)23-26-11-12-27-23/h3-8,10,14-15,19H,9,11-13,35H2,1-2H3,(H,26,27).
What are the key properties of 3-[3-(4,5-dihydro-1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-[1-(4-phosphanylphenyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidin-2-one?
3-[3-(4,5-dihydro-1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-[1-(4-phosphanylphenyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidin-2-one has a molecular weight of 486.52 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4,5-dihydro-1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]-1-[1-(4-phosphanylphenyl)-5-propan-2-ylpyrazol-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 170203037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).