3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxy-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridine

C25H25FN4O3 — CID 130248068

IUPAC3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxy-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridine
SMILESCOc1cccc(Oc2ccc(-c3nn([C@@H]4CCCNC4)c4c(OC)cncc34)cc2)c1F
InChIInChI=1S/C25H25FN4O3/c1-31-20-6-3-7-21(23(20)26)33-18-10-8-16(9-11-18)24-19-14-28-15-22(32-2)25(19)30(29-24)17-5-4-12-27-13-17/h3,6-11,14-15,17,27H,4-5,12-13H2,1-2H3/t17-/m1/s1
InChIKeyXNJQHXBRQQSGDT-QGZVFWFLSA-N
MW448.50 g/mol
LogP4.97
Rot. Bonds6

About 3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxy-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridine

3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxy-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridine (PubChem CID 130248068) has the molecular formula C25H25FN4O3 and a molecular weight of 448.50 g/mol. Its IUPAC name is 3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxy-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxy-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridine
PubChem CID130248068
Molecular FormulaC25H25FN4O3
Molecular Weight448.50 g/mol
Exact Mass448.19
IUPAC Name3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxy-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridine
SMILESCOc1cccc(Oc2ccc(-c3nn([C@@H]4CCCNC4)c4c(OC)cncc34)cc2)c1F
InChIInChI=1S/C25H25FN4O3/c1-31-20-6-3-7-21(23(20)26)33-18-10-8-16(9-11-18)24-19-14-28-15-22(32-2)25(19)30(29-24)17-5-4-12-27-13-17/h3,6-11,14-15,17,27H,4-5,12-13H2,1-2H3/t17-/m1/s1
InChIKeyXNJQHXBRQQSGDT-QGZVFWFLSA-N
XLogP4.97
TPSA70.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxy-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2S)-2-amino-3-(2,3-difluorophenyl)propoxy]-5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 16731841
5-{5-[(2S)-2-amino-3-phenylpropoxy]pyridin-3-yl}-3-methyl-6-oxido-1H-pyrazolo[3,4-c]pyridin-6-ium
CID 23647439
3-[(2S)-2-amino-3-phenylpropoxy]-5-{3-phenyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 23647443
3-Methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 90665374
3-Methoxy-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinoline
CID 90668361
4-(2-Fluoroethoxymethyl)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 122193707
N-(2-fluoroethyl)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinolin-4-amine
CID 122193711
3-(2-Fluoroethoxy)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 122193713
N-(2-fluoroethyl)-2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)phenoxy]methyl]quinolin-4-amine
CID 122193933
2-[[4-[1-(2-Fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-5-methoxypyridine
CID 53466370
5-Methoxy-2-[[4-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]phenoxy]methyl]pyridine
CID 53466375
3-Methoxy-2-[[4-[4-pyridin-4-yl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]phenoxy]methyl]pyridine
CID 53466457

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxy-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxy-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridine (CID 130248068) is 3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxy-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxy-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxy-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridine is COc1cccc(Oc2ccc(-c3nn([C@@H]4CCCNC4)c4c(OC)cncc34)cc2)c1F.
What is the InChIKey of 3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxy-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridine?
The InChIKey is XNJQHXBRQQSGDT-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H25FN4O3/c1-31-20-6-3-7-21(23(20)26)33-18-10-8-16(9-11-18)24-19-14-28-15-22(32-2)25(19)30(29-24)17-5-4-12-27-13-17/h3,6-11,14-15,17,27H,4-5,12-13H2,1-2H3/t17-/m1/s1.
What are the key properties of 3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxy-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridine?
3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxy-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridine has a molecular weight of 448.50 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluoro-3-methoxyphenoxy)phenyl]-7-methoxy-1-[(3R)-piperidin-3-yl]pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 130248068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).