(3R)-1-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-3-methylpiperidin-3-ol

C22H25N7O — CID 71253777

IUPAC(3R)-1-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-3-methylpiperidin-3-ol
SMILESCCn1cc(-c2cc3c(-c4cccc(N5CCC[C@@](C)(O)C5)n4)n[nH]c3cn2)cn1
InChIInChI=1S/C22H25N7O/c1-3-29-13-15(11-24-29)18-10-16-19(12-23-18)26-27-21(16)17-6-4-7-20(25-17)28-9-5-8-22(2,30)14-28/h4,6-7,10-13,30H,3,5,8-9,14H2,1-2H3,(H,26,27)/t22-/m1/s1
InChIKeyIUPXPASTCFUQOD-JOCHJYFZSA-N
MW403.49 g/mol
LogP3.25
Rot. Bonds4

About (3R)-1-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-3-methylpiperidin-3-ol

(3R)-1-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-3-methylpiperidin-3-ol (PubChem CID 71253777) has the molecular formula C22H25N7O and a molecular weight of 403.49 g/mol. Its IUPAC name is (3R)-1-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-3-methylpiperidin-3-ol
PubChem CID71253777
Molecular FormulaC22H25N7O
Molecular Weight403.49 g/mol
Exact Mass403.21
IUPAC Name(3R)-1-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-3-methylpiperidin-3-ol
SMILESCCn1cc(-c2cc3c(-c4cccc(N5CCC[C@@](C)(O)C5)n4)n[nH]c3cn2)cn1
InChIInChI=1S/C22H25N7O/c1-3-29-13-15(11-24-29)18-10-16-19(12-23-18)26-27-21(16)17-6-4-7-20(25-17)28-9-5-8-22(2,30)14-28/h4,6-7,10-13,30H,3,5,8-9,14H2,1-2H3,(H,26,27)/t22-/m1/s1
InChIKeyIUPXPASTCFUQOD-JOCHJYFZSA-N
XLogP3.25
TPSA95.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-3-methylpiperidin-3-ol?
The IUPAC name of (3R)-1-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-3-methylpiperidin-3-ol (CID 71253777) is (3R)-1-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-3-methylpiperidin-3-ol.
What is the SMILES notation for (3R)-1-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-3-methylpiperidin-3-ol?
The canonical SMILES for (3R)-1-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-3-methylpiperidin-3-ol is CCn1cc(-c2cc3c(-c4cccc(N5CCC[C@@](C)(O)C5)n4)n[nH]c3cn2)cn1.
What is the InChIKey of (3R)-1-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-3-methylpiperidin-3-ol?
The InChIKey is IUPXPASTCFUQOD-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H25N7O/c1-3-29-13-15(11-24-29)18-10-16-19(12-23-18)26-27-21(16)17-6-4-7-20(25-17)28-9-5-8-22(2,30)14-28/h4,6-7,10-13,30H,3,5,8-9,14H2,1-2H3,(H,26,27)/t22-/m1/s1.
What are the key properties of (3R)-1-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-3-methylpiperidin-3-ol?
(3R)-1-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-3-methylpiperidin-3-ol has a molecular weight of 403.49 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]-3-methylpiperidin-3-ol is sourced from PubChem (CID 71253777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).