(3S)-1-[3-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-4-pyridinyl]piperidin-3-amine

C22H21FN6 — CID 71253520

IUPAC(3S)-1-[3-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-4-pyridinyl]piperidin-3-amine
SMILESN[C@H]1CCCN(c2ccncc2-c2cc3c(-c4ccccc4F)n[nH]c3cn2)C1
InChIInChI=1S/C22H21FN6/c23-18-6-2-1-5-15(18)22-16-10-19(26-12-20(16)27-28-22)17-11-25-8-7-21(17)29-9-3-4-14(24)13-29/h1-2,5-8,10-12,14H,3-4,9,13,24H2,(H,27,28)/t14-/m0/s1
InChIKeyVZZLTWZEAQOFRD-AWEZNQCLSA-N
MW388.45 g/mol
LogP3.75
Rot. Bonds3

About (3S)-1-[3-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-4-pyridinyl]piperidin-3-amine

(3S)-1-[3-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-4-pyridinyl]piperidin-3-amine (PubChem CID 71253520) has the molecular formula C22H21FN6 and a molecular weight of 388.45 g/mol. Its IUPAC name is (3S)-1-[3-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-4-pyridinyl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[3-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-4-pyridinyl]piperidin-3-amine
PubChem CID71253520
Molecular FormulaC22H21FN6
Molecular Weight388.45 g/mol
Exact Mass388.18
IUPAC Name(3S)-1-[3-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-4-pyridinyl]piperidin-3-amine
SMILESN[C@H]1CCCN(c2ccncc2-c2cc3c(-c4ccccc4F)n[nH]c3cn2)C1
InChIInChI=1S/C22H21FN6/c23-18-6-2-1-5-15(18)22-16-10-19(26-12-20(16)27-28-22)17-11-25-8-7-21(17)29-9-3-4-14(24)13-29/h1-2,5-8,10-12,14H,3-4,9,13,24H2,(H,27,28)/t14-/m0/s1
InChIKeyVZZLTWZEAQOFRD-AWEZNQCLSA-N
XLogP3.75
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-1-[3-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-4-pyridinyl]piperidin-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-4-pyridinyl]piperidin-3-amine?
The IUPAC name of (3S)-1-[3-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-4-pyridinyl]piperidin-3-amine (CID 71253520) is (3S)-1-[3-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-4-pyridinyl]piperidin-3-amine.
What is the SMILES notation for (3S)-1-[3-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-4-pyridinyl]piperidin-3-amine?
The canonical SMILES for (3S)-1-[3-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-4-pyridinyl]piperidin-3-amine is N[C@H]1CCCN(c2ccncc2-c2cc3c(-c4ccccc4F)n[nH]c3cn2)C1.
What is the InChIKey of (3S)-1-[3-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-4-pyridinyl]piperidin-3-amine?
The InChIKey is VZZLTWZEAQOFRD-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H21FN6/c23-18-6-2-1-5-15(18)22-16-10-19(26-12-20(16)27-28-22)17-11-25-8-7-21(17)29-9-3-4-14(24)13-29/h1-2,5-8,10-12,14H,3-4,9,13,24H2,(H,27,28)/t14-/m0/s1.
What are the key properties of (3S)-1-[3-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-4-pyridinyl]piperidin-3-amine?
(3S)-1-[3-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-4-pyridinyl]piperidin-3-amine has a molecular weight of 388.45 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-[3-(2-fluorophenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-4-pyridinyl]piperidin-3-amine is sourced from PubChem (CID 71253520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).