5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one

C23H21N5O4 — CID 135906715

IUPAC5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCc1nn(-c2ccccc2)c2[nH]cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c(=O)c12
InChIInChI=1S/C23H21N5O4/c1-15-19-20(29)17(14-24-21(19)28(25-15)16-6-3-2-4-7-16)22(30)26-9-11-27(12-10-26)23(31)18-8-5-13-32-18/h2-8,13-14H,9-12H2,1H3,(H,24,29)
InChIKeyKBKSOOFWMGRZTM-UHFFFAOYSA-N
MW431.45 g/mol
LogP2.21
Rot. Bonds3

About 5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one

5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 135906715) has the molecular formula C23H21N5O4 and a molecular weight of 431.45 g/mol. Its IUPAC name is 5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID135906715
Molecular FormulaC23H21N5O4
Molecular Weight431.45 g/mol
Exact Mass431.16
IUPAC Name5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCc1nn(-c2ccccc2)c2[nH]cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c(=O)c12
InChIInChI=1S/C23H21N5O4/c1-15-19-20(29)17(14-24-21(19)28(25-15)16-6-3-2-4-7-16)22(30)26-9-11-27(12-10-26)23(31)18-8-5-13-32-18/h2-8,13-14H,9-12H2,1H3,(H,24,29)
InChIKeyKBKSOOFWMGRZTM-UHFFFAOYSA-N
XLogP2.21
TPSA104.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one (CID 135906715) is 5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one is Cc1nn(-c2ccccc2)c2[nH]cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c(=O)c12.
What is the InChIKey of 5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is KBKSOOFWMGRZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4/c1-15-19-20(29)17(14-24-21(19)28(25-15)16-6-3-2-4-7-16)22(30)26-9-11-27(12-10-26)23(31)18-8-5-13-32-18/h2-8,13-14H,9-12H2,1H3,(H,24,29).
What are the key properties of 5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one?
5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 431.45 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 135906715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).