2-[4-(2-fluorophenoxy)phenyl]-7-piperazin-1-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide

C23H25FN6O2 — CID 164537452

IUPAC2-[4-(2-fluorophenoxy)phenyl]-7-piperazin-1-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide
SMILESNC(=O)c1c2c(nn1-c1ccc(Oc3ccccc3F)cc1)C(N1CCNCC1)CCN2
InChIInChI=1S/C23H25FN6O2/c24-17-3-1-2-4-19(17)32-16-7-5-15(6-8-16)30-22(23(25)31)21-20(28-30)18(9-10-27-21)29-13-11-26-12-14-29/h1-8,18,26-27H,9-14H2,(H2,25,31)
InChIKeyHUNDKJCCBZZCKH-UHFFFAOYSA-N
MW436.49 g/mol
LogP2.66
Rot. Bonds5

About 2-[4-(2-fluorophenoxy)phenyl]-7-piperazin-1-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide

2-[4-(2-fluorophenoxy)phenyl]-7-piperazin-1-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide (PubChem CID 164537452) has the molecular formula C23H25FN6O2 and a molecular weight of 436.49 g/mol. Its IUPAC name is 2-[4-(2-fluorophenoxy)phenyl]-7-piperazin-1-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-(2-fluorophenoxy)phenyl]-7-piperazin-1-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide
PubChem CID164537452
Molecular FormulaC23H25FN6O2
Molecular Weight436.49 g/mol
Exact Mass436.20
IUPAC Name2-[4-(2-fluorophenoxy)phenyl]-7-piperazin-1-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide
SMILESNC(=O)c1c2c(nn1-c1ccc(Oc3ccccc3F)cc1)C(N1CCNCC1)CCN2
InChIInChI=1S/C23H25FN6O2/c24-17-3-1-2-4-19(17)32-16-7-5-15(6-8-16)30-22(23(25)31)21-20(28-30)18(9-10-27-21)29-13-11-26-12-14-29/h1-8,18,26-27H,9-14H2,(H2,25,31)
InChIKeyHUNDKJCCBZZCKH-UHFFFAOYSA-N
XLogP2.66
TPSA97.44 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(7S)-7-piperazin-1-yl-2-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide
CID 164537663
(7R)-7-piperazin-1-yl-2-[4-[3-(trifluoromethyl)phenoxy]phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide
CID 164537813
(7R)-2-[4-(3-cyanophenoxy)phenyl]-7-piperazin-1-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide
CID 164537525
tert-butyl 4-[3-carbamoyl-2-[4-(2,4-difluorophenoxy)phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridin-7-yl]piperazine-1-carboxylate
CID 164537793
tert-butyl 4-[3-carbamoyl-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridin-7-yl]-1,4-diazepane-1-carboxylate
CID 164537630
(7R)-7-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-2-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide
CID 164537485
(7R)-2-[4-(2,3-difluorophenoxy)phenyl]-7-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylic acid
CID 164537752
(7R)-2-[4-(2,5-difluorophenoxy)phenyl]-7-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylic acid
CID 164537761
2-[4-(4-chlorophenoxy)phenyl]-7-piperidin-4-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide
CID 164537841
(7R)-2-[4-(3-methoxyphenoxy)phenyl]-7-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide
CID 164537440
2-[4-(4-fluorophenoxy)phenyl]-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide
CID 164537745
tert-butyl (2S,5R)-4-[3-carbamoyl-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridin-7-yl]-2,5-dimethylpiperazine-1-carboxylate
CID 164537505

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluorophenoxy)phenyl]-7-piperazin-1-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide?
The IUPAC name of 2-[4-(2-fluorophenoxy)phenyl]-7-piperazin-1-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide (CID 164537452) is 2-[4-(2-fluorophenoxy)phenyl]-7-piperazin-1-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-(2-fluorophenoxy)phenyl]-7-piperazin-1-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-(2-fluorophenoxy)phenyl]-7-piperazin-1-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide is NC(=O)c1c2c(nn1-c1ccc(Oc3ccccc3F)cc1)C(N1CCNCC1)CCN2.
What is the InChIKey of 2-[4-(2-fluorophenoxy)phenyl]-7-piperazin-1-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide?
The InChIKey is HUNDKJCCBZZCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O2/c24-17-3-1-2-4-19(17)32-16-7-5-15(6-8-16)30-22(23(25)31)21-20(28-30)18(9-10-27-21)29-13-11-26-12-14-29/h1-8,18,26-27H,9-14H2,(H2,25,31).
What are the key properties of 2-[4-(2-fluorophenoxy)phenyl]-7-piperazin-1-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide?
2-[4-(2-fluorophenoxy)phenyl]-7-piperazin-1-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 2.66, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluorophenoxy)phenyl]-7-piperazin-1-yl-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 164537452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).