(1-cyclopropyltetrazol-5-yl)methyl 1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate

C25H20FN7O2 — CID 55554031

IUPAC(1-cyclopropyltetrazol-5-yl)methyl 1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESO=C(OCc1nnnn1C1CC1)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1
InChIInChI=1S/C25H20FN7O2/c26-18-8-4-5-16(11-18)14-32-24-21(13-27-32)20(12-22(28-24)17-6-2-1-3-7-17)25(34)35-15-23-29-30-31-33(23)19-9-10-19/h1-8,11-13,19H,9-10,14-15H2
InChIKeyCEKGWUNYWALFHU-UHFFFAOYSA-N
MW469.48 g/mol
LogP3.96
Rot. Bonds7

About (1-cyclopropyltetrazol-5-yl)methyl 1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate

(1-cyclopropyltetrazol-5-yl)methyl 1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 55554031) has the molecular formula C25H20FN7O2 and a molecular weight of 469.48 g/mol. Its IUPAC name is (1-cyclopropyltetrazol-5-yl)methyl 1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name(1-cyclopropyltetrazol-5-yl)methyl 1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID55554031
Molecular FormulaC25H20FN7O2
Molecular Weight469.48 g/mol
Exact Mass469.17
IUPAC Name(1-cyclopropyltetrazol-5-yl)methyl 1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESO=C(OCc1nnnn1C1CC1)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1
InChIInChI=1S/C25H20FN7O2/c26-18-8-4-5-16(11-18)14-32-24-21(13-27-32)20(12-22(28-24)17-6-2-1-3-7-17)25(34)35-15-23-29-30-31-33(23)19-9-10-19/h1-8,11-13,19H,9-10,14-15H2
InChIKeyCEKGWUNYWALFHU-UHFFFAOYSA-N
XLogP3.96
TPSA100.61 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.48
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

N'-(cyclopropanecarbonyl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 26586837
[2-(ethoxycarbonylamino)-2-oxoethyl] 1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 42011076
[1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 167909704
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 42011230
N-(4-carbamoylphenyl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 26689268
2-oxopropyl 1-benzyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46696750
N-[[1-[1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]methyl]acetamide
CID 55780936
[1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridin-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 24575624
1-[(3-fluorophenyl)methyl]-N-(1-hydroxypropan-2-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 112818183
N-(2,5-dimethylpyrazol-3-yl)-1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55635669
1-[(3-fluorophenyl)methyl]-N-(2-oxoazepan-3-yl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55858160
1-[(3-fluorophenyl)methyl]-N-methyl-N-(oxolan-2-ylmethyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 56503924

Frequently Asked Questions

What is the IUPAC name of (1-cyclopropyltetrazol-5-yl)methyl 1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of (1-cyclopropyltetrazol-5-yl)methyl 1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 55554031) is (1-cyclopropyltetrazol-5-yl)methyl 1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for (1-cyclopropyltetrazol-5-yl)methyl 1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for (1-cyclopropyltetrazol-5-yl)methyl 1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate is O=C(OCc1nnnn1C1CC1)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccc(F)c1.
What is the InChIKey of (1-cyclopropyltetrazol-5-yl)methyl 1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is CEKGWUNYWALFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN7O2/c26-18-8-4-5-16(11-18)14-32-24-21(13-27-32)20(12-22(28-24)17-6-2-1-3-7-17)25(34)35-15-23-29-30-31-33(23)19-9-10-19/h1-8,11-13,19H,9-10,14-15H2.
What are the key properties of (1-cyclopropyltetrazol-5-yl)methyl 1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate?
(1-cyclopropyltetrazol-5-yl)methyl 1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 469.48 g/mol, XLogP of 3.96, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropyltetrazol-5-yl)methyl 1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 55554031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).