7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-(2-methoxyethyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one

C26H26FN5O3 — CID 18570435

IUPAC7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-(2-methoxyethyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one
SMILESCOCCn1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2nn(-c3ccccc3)c(=O)c-2c1
InChIInChI=1S/C26H26FN5O3/c1-35-16-15-29-17-22(24-23(18-29)26(34)32(28-24)21-5-3-2-4-6-21)25(33)31-13-11-30(12-14-31)20-9-7-19(27)8-10-20/h2-10,17-18H,11-16H2,1H3
InChIKeyRCOWAHGNQJLHAW-UHFFFAOYSA-N
MW475.52 g/mol
LogP2.89
Rot. Bonds6

About 7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-(2-methoxyethyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one

7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-(2-methoxyethyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one (PubChem CID 18570435) has the molecular formula C26H26FN5O3 and a molecular weight of 475.52 g/mol. Its IUPAC name is 7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-(2-methoxyethyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-(2-methoxyethyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one
PubChem CID18570435
Molecular FormulaC26H26FN5O3
Molecular Weight475.52 g/mol
Exact Mass475.20
IUPAC Name7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-(2-methoxyethyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one
SMILESCOCCn1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2nn(-c3ccccc3)c(=O)c-2c1
InChIInChI=1S/C26H26FN5O3/c1-35-16-15-29-17-22(24-23(18-29)26(34)32(28-24)21-5-3-2-4-6-21)25(33)31-13-11-30(12-14-31)20-9-7-19(27)8-10-20/h2-10,17-18H,11-16H2,1H3
InChIKeyRCOWAHGNQJLHAW-UHFFFAOYSA-N
XLogP2.89
TPSA72.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-(2-methoxyethyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-(2-methoxyethyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one (CID 18570435) is 7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-(2-methoxyethyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-(2-methoxyethyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-(2-methoxyethyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one is COCCn1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c2nn(-c3ccccc3)c(=O)c-2c1.
What is the InChIKey of 7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-(2-methoxyethyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one?
The InChIKey is RCOWAHGNQJLHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O3/c1-35-16-15-29-17-22(24-23(18-29)26(34)32(28-24)21-5-3-2-4-6-21)25(33)31-13-11-30(12-14-31)20-9-7-19(27)8-10-20/h2-10,17-18H,11-16H2,1H3.
What are the key properties of 7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-(2-methoxyethyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one?
7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-(2-methoxyethyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one has a molecular weight of 475.52 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(4-fluorophenyl)piperazine-1-carbonyl]-5-(2-methoxyethyl)-2-phenylpyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 18570435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).