5-(1-methylpyrazol-4-yl)-3-[6-[(3R)-piperidin-3-yl]oxy-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine

C20H21N7O — CID 71253513

IUPAC5-(1-methylpyrazol-4-yl)-3-[6-[(3R)-piperidin-3-yl]oxy-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
SMILESCn1cc(-c2cc3c(-c4cccc(O[C@@H]5CCCNC5)n4)n[nH]c3cn2)cn1
InChIInChI=1S/C20H21N7O/c1-27-12-13(9-23-27)17-8-15-18(11-22-17)25-26-20(15)16-5-2-6-19(24-16)28-14-4-3-7-21-10-14/h2,5-6,8-9,11-12,14,21H,3-4,7,10H2,1H3,(H,25,26)/t14-/m1/s1
InChIKeyXJYVGYJMUZECDN-CQSZACIVSA-N
MW375.44 g/mol
LogP2.55
Rot. Bonds4

About 5-(1-methylpyrazol-4-yl)-3-[6-[(3R)-piperidin-3-yl]oxy-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine

5-(1-methylpyrazol-4-yl)-3-[6-[(3R)-piperidin-3-yl]oxy-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine (PubChem CID 71253513) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-3-[6-[(3R)-piperidin-3-yl]oxy-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-3-[6-[(3R)-piperidin-3-yl]oxy-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
PubChem CID71253513
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name5-(1-methylpyrazol-4-yl)-3-[6-[(3R)-piperidin-3-yl]oxy-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
SMILESCn1cc(-c2cc3c(-c4cccc(O[C@@H]5CCCNC5)n4)n[nH]c3cn2)cn1
InChIInChI=1S/C20H21N7O/c1-27-12-13(9-23-27)17-8-15-18(11-22-17)25-26-20(15)16-5-2-6-19(24-16)28-14-4-3-7-21-10-14/h2,5-6,8-9,11-12,14,21H,3-4,7,10H2,1H3,(H,25,26)/t14-/m1/s1
InChIKeyXJYVGYJMUZECDN-CQSZACIVSA-N
XLogP2.55
TPSA93.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-3-[6-[(3R)-piperidin-3-yl]oxy-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-3-[6-[(3R)-piperidin-3-yl]oxy-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine (CID 71253513) is 5-(1-methylpyrazol-4-yl)-3-[6-[(3R)-piperidin-3-yl]oxy-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-3-[6-[(3R)-piperidin-3-yl]oxy-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-3-[6-[(3R)-piperidin-3-yl]oxy-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine is Cn1cc(-c2cc3c(-c4cccc(O[C@@H]5CCCNC5)n4)n[nH]c3cn2)cn1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-3-[6-[(3R)-piperidin-3-yl]oxy-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is XJYVGYJMUZECDN-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21N7O/c1-27-12-13(9-23-27)17-8-15-18(11-22-17)25-26-20(15)16-5-2-6-19(24-16)28-14-4-3-7-21-10-14/h2,5-6,8-9,11-12,14,21H,3-4,7,10H2,1H3,(H,25,26)/t14-/m1/s1.
What are the key properties of 5-(1-methylpyrazol-4-yl)-3-[6-[(3R)-piperidin-3-yl]oxy-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine?
5-(1-methylpyrazol-4-yl)-3-[6-[(3R)-piperidin-3-yl]oxy-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 375.44 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-3-[6-[(3R)-piperidin-3-yl]oxy-2-pyridinyl]-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 71253513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).