(Z)-N-(4-fluorophenyl)-3-(6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide

C18H17FN4O2 — CID 136696061

IUPAC(Z)-N-(4-fluorophenyl)-3-(6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide
SMILESCC(C)n1ncc2cc(/C=C\C(=O)Nc3ccc(F)cc3)c(=O)[nH]c21
InChIInChI=1S/C18H17FN4O2/c1-11(2)23-17-13(10-20-23)9-12(18(25)22-17)3-8-16(24)21-15-6-4-14(19)5-7-15/h3-11H,1-2H3,(H,21,24)(H,22,25)/b8-3-
InChIKeyPHHWNBFMAYMHBL-BAQGIRSFSA-N
MW340.36 g/mol
LogP3.10
Rot. Bonds4

About (Z)-N-(4-fluorophenyl)-3-(6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide

(Z)-N-(4-fluorophenyl)-3-(6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide (PubChem CID 136696061) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is (Z)-N-(4-fluorophenyl)-3-(6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(4-fluorophenyl)-3-(6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide
PubChem CID136696061
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name(Z)-N-(4-fluorophenyl)-3-(6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide
SMILESCC(C)n1ncc2cc(/C=C\C(=O)Nc3ccc(F)cc3)c(=O)[nH]c21
InChIInChI=1S/C18H17FN4O2/c1-11(2)23-17-13(10-20-23)9-12(18(25)22-17)3-8-16(24)21-15-6-4-14(19)5-7-15/h3-11H,1-2H3,(H,21,24)(H,22,25)/b8-3-
InChIKeyPHHWNBFMAYMHBL-BAQGIRSFSA-N
XLogP3.10
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-fluorophenyl)-3-(6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide?
The IUPAC name of (Z)-N-(4-fluorophenyl)-3-(6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide (CID 136696061) is (Z)-N-(4-fluorophenyl)-3-(6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide.
What is the SMILES notation for (Z)-N-(4-fluorophenyl)-3-(6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide?
The canonical SMILES for (Z)-N-(4-fluorophenyl)-3-(6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide is CC(C)n1ncc2cc(/C=C\C(=O)Nc3ccc(F)cc3)c(=O)[nH]c21.
What is the InChIKey of (Z)-N-(4-fluorophenyl)-3-(6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide?
The InChIKey is PHHWNBFMAYMHBL-BAQGIRSFSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-11(2)23-17-13(10-20-23)9-12(18(25)22-17)3-8-16(24)21-15-6-4-14(19)5-7-15/h3-11H,1-2H3,(H,21,24)(H,22,25)/b8-3-.
What are the key properties of (Z)-N-(4-fluorophenyl)-3-(6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide?
(Z)-N-(4-fluorophenyl)-3-(6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide has a molecular weight of 340.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-fluorophenyl)-3-(6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide is sourced from PubChem (CID 136696061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).