1-[6-(4,4-difluoropiperidin-3-yl)-2-pyridinyl]-6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridine

C21H19F2N7 — CID 72714764

IUPAC1-[6-(4,4-difluoropiperidin-3-yl)-2-pyridinyl]-6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridine
SMILESCc1cncc(-c2cc3c(cn2)cnn3-c2cccc(C3CNCCC3(F)F)n2)n1
InChIInChI=1S/C21H19F2N7/c1-13-8-25-12-18(28-13)17-7-19-14(9-26-17)10-27-30(19)20-4-2-3-16(29-20)15-11-24-6-5-21(15,22)23/h2-4,7-10,12,15,24H,5-6,11H2,1H3
InChIKeyOIZRMKSUYVZCDN-UHFFFAOYSA-N
MW407.43 g/mol
LogP3.29
Rot. Bonds3

About 1-[6-(4,4-difluoropiperidin-3-yl)-2-pyridinyl]-6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridine

1-[6-(4,4-difluoropiperidin-3-yl)-2-pyridinyl]-6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridine (PubChem CID 72714764) has the molecular formula C21H19F2N7 and a molecular weight of 407.43 g/mol. Its IUPAC name is 1-[6-(4,4-difluoropiperidin-3-yl)-2-pyridinyl]-6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name1-[6-(4,4-difluoropiperidin-3-yl)-2-pyridinyl]-6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridine
PubChem CID72714764
Molecular FormulaC21H19F2N7
Molecular Weight407.43 g/mol
Exact Mass407.17
IUPAC Name1-[6-(4,4-difluoropiperidin-3-yl)-2-pyridinyl]-6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridine
SMILESCc1cncc(-c2cc3c(cn2)cnn3-c2cccc(C3CNCCC3(F)F)n2)n1
InChIInChI=1S/C21H19F2N7/c1-13-8-25-12-18(28-13)17-7-19-14(9-26-17)10-27-30(19)20-4-2-3-16(29-20)15-11-24-6-5-21(15,22)23/h2-4,7-10,12,15,24H,5-6,11H2,1H3
InChIKeyOIZRMKSUYVZCDN-UHFFFAOYSA-N
XLogP3.29
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(4,4-difluoropiperidin-3-yl)-2-pyridinyl]-6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridine?
The IUPAC name of 1-[6-(4,4-difluoropiperidin-3-yl)-2-pyridinyl]-6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridine (CID 72714764) is 1-[6-(4,4-difluoropiperidin-3-yl)-2-pyridinyl]-6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 1-[6-(4,4-difluoropiperidin-3-yl)-2-pyridinyl]-6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridine?
The canonical SMILES for 1-[6-(4,4-difluoropiperidin-3-yl)-2-pyridinyl]-6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridine is Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(C3CNCCC3(F)F)n2)n1.
What is the InChIKey of 1-[6-(4,4-difluoropiperidin-3-yl)-2-pyridinyl]-6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridine?
The InChIKey is OIZRMKSUYVZCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N7/c1-13-8-25-12-18(28-13)17-7-19-14(9-26-17)10-27-30(19)20-4-2-3-16(29-20)15-11-24-6-5-21(15,22)23/h2-4,7-10,12,15,24H,5-6,11H2,1H3.
What are the key properties of 1-[6-(4,4-difluoropiperidin-3-yl)-2-pyridinyl]-6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridine?
1-[6-(4,4-difluoropiperidin-3-yl)-2-pyridinyl]-6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridine has a molecular weight of 407.43 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4,4-difluoropiperidin-3-yl)-2-pyridinyl]-6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 72714764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).