1-N'-(4-fluorophenyl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl]cyclopropane-1,1-dicarboxamide

C23H18FN5O3 — CID 69179253

IUPAC1-N'-(4-fluorophenyl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl]cyclopropane-1,1-dicarboxamide
SMILESNC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1c1ccc(Oc2ccnc3[nH]ncc23)cc1
InChIInChI=1S/C23H18FN5O3/c24-14-3-5-15(6-4-14)28-22(31)23(21(25)30)11-18(23)13-1-7-16(8-2-13)32-19-9-10-26-20-17(19)12-27-29-20/h1-10,12,18H,11H2,(H2,25,30)(H,28,31)(H,26,27,29)
InChIKeyHJOALPRINJWRSS-UHFFFAOYSA-N
MW431.43 g/mol
LogP3.49
Rot. Bonds6

About 1-N'-(4-fluorophenyl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl]cyclopropane-1,1-dicarboxamide

1-N'-(4-fluorophenyl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl]cyclopropane-1,1-dicarboxamide (PubChem CID 69179253) has the molecular formula C23H18FN5O3 and a molecular weight of 431.43 g/mol. Its IUPAC name is 1-N'-(4-fluorophenyl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(4-fluorophenyl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl]cyclopropane-1,1-dicarboxamide
PubChem CID69179253
Molecular FormulaC23H18FN5O3
Molecular Weight431.43 g/mol
Exact Mass431.14
IUPAC Name1-N'-(4-fluorophenyl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl]cyclopropane-1,1-dicarboxamide
SMILESNC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1c1ccc(Oc2ccnc3[nH]ncc23)cc1
InChIInChI=1S/C23H18FN5O3/c24-14-3-5-15(6-4-14)28-22(31)23(21(25)30)11-18(23)13-1-7-16(8-2-13)32-19-9-10-26-20-17(19)12-27-29-20/h1-10,12,18H,11H2,(H2,25,30)(H,28,31)(H,26,27,29)
InChIKeyHJOALPRINJWRSS-UHFFFAOYSA-N
XLogP3.49
TPSA122.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.43
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[4-[[2-[2-(dimethylamino)ethylcarbamoyl]-1H-pyrrolo[2,3-b]pyridin-4-yl]oxy]phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 68708474
trans-(1S,2R)-1-N-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-2-fluoro-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 162648053
2-[4-[7-(5-fluoro-3-pyridinyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 167343307
1-N'-[4-[6-[3-(diethylamino)propoxy]-7-methoxyquinolin-4-yl]oxy-3-fluorophenyl]-2-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 123473274
2-[4-[7-methoxy-6-(methylcarbamoylamino)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 155791985
2-[4-[7-(2-hydroxyethoxycarbamoyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 155791973
(1R)-2-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 175762678
2-[3-(aminomethyl)phenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 174592632
2-[4-[7-[6-(trifluoromethyl)-3-pyridinyl]quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 167343249
2-[4-[7-(6-methyl-3-pyridinyl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 167343274
1-N-[4-[6-carbamoyl-7-(2-hydroxyethoxy)quinolin-4-yl]oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 139350049
4-[4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]-7-(methylamino)quinoline-6-carboxylic acid
CID 139350637

Frequently Asked Questions

What is the IUPAC name of 1-N'-(4-fluorophenyl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(4-fluorophenyl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl]cyclopropane-1,1-dicarboxamide (CID 69179253) is 1-N'-(4-fluorophenyl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(4-fluorophenyl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(4-fluorophenyl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl]cyclopropane-1,1-dicarboxamide is NC(=O)C1(C(=O)Nc2ccc(F)cc2)CC1c1ccc(Oc2ccnc3[nH]ncc23)cc1.
What is the InChIKey of 1-N'-(4-fluorophenyl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is HJOALPRINJWRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O3/c24-14-3-5-15(6-4-14)28-22(31)23(21(25)30)11-18(23)13-1-7-16(8-2-13)32-19-9-10-26-20-17(19)12-27-29-20/h1-10,12,18H,11H2,(H2,25,30)(H,28,31)(H,26,27,29).
What are the key properties of 1-N'-(4-fluorophenyl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl]cyclopropane-1,1-dicarboxamide?
1-N'-(4-fluorophenyl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 431.43 g/mol, XLogP of 3.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(4-fluorophenyl)-2-[4-(1H-pyrazolo[3,4-b]pyridin-4-yloxy)phenyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 69179253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).