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

C20H21N7 — CID 71253727

IUPAC5-(1-methylpyrazol-4-yl)-3-(6-piperidin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
SMILESCN1C=C(C=N1)C2=NC=C3C(=C2)C(=NN3)C4=NC(=CC=C4)C5CCNCC5
InChIInChI=1S/C20H21N7/c1-27-12-14(10-23-27)18-9-15-19(11-22-18)25-26-20(15)17-4-2-3-16(24-17)13-5-7-21-8-6-13/h2-4,9-13,21H,5-8H2,1H3,(H,25,26)
InChIKeyDPCSEKLXKDUSOY-UHFFFAOYSA-N
MW359.40 g/mol
LogP1.20
Rot. Bonds3

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

5-(1-methylpyrazol-4-yl)-3-(6-piperidin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 71253727) has the molecular formula C20H21N7 and a molecular weight of 359.40 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-3-(6-piperidin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-3-(6-piperidin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
PubChem CID71253727
Molecular FormulaC20H21N7
Molecular Weight359.40 g/mol
Exact Mass359.19
IUPAC Name5-(1-methylpyrazol-4-yl)-3-(6-piperidin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
SMILESCN1C=C(C=N1)C2=NC=C3C(=C2)C(=NN3)C4=NC(=CC=C4)C5CCNCC5
InChIInChI=1S/C20H21N7/c1-27-12-14(10-23-27)18-9-15-19(11-22-18)25-26-20(15)17-4-2-3-16(24-17)13-5-7-21-8-6-13/h2-4,9-13,21H,5-8H2,1H3,(H,25,26)
InChIKeyDPCSEKLXKDUSOY-UHFFFAOYSA-N
XLogP1.20
TPSA84.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity497

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-3-(6-piperidin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-3-(6-piperidin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine (CID 71253727) is 5-(1-methylpyrazol-4-yl)-3-(6-piperidin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-3-(6-piperidin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-3-(6-piperidin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine is CN1C=C(C=N1)C2=NC=C3C(=C2)C(=NN3)C4=NC(=CC=C4)C5CCNCC5.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-3-(6-piperidin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is DPCSEKLXKDUSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7/c1-27-12-14(10-23-27)18-9-15-19(11-22-18)25-26-20(15)17-4-2-3-16(24-17)13-5-7-21-8-6-13/h2-4,9-13,21H,5-8H2,1H3,(H,25,26).
What are the key properties of 5-(1-methylpyrazol-4-yl)-3-(6-piperidin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?
5-(1-methylpyrazol-4-yl)-3-(6-piperidin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 359.40 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-3-(6-piperidin-4-yl-2-pyridinyl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 71253727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).