[4-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenyl]-piperidin-3-ylmethanol

C19H22N4O — CID 167893520

IUPAC[4-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenyl]-piperidin-3-ylmethanol
SMILESCn1ncc2cc(-c3ccc(C(O)C4CCCNC4)cc3)cnc21
InChIInChI=1S/C19H22N4O/c1-23-19-17(12-22-23)9-16(11-21-19)13-4-6-14(7-5-13)18(24)15-3-2-8-20-10-15/h4-7,9,11-12,15,18,20,24H,2-3,8,10H2,1H3
InChIKeyBQPDAIWNKSMSAF-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.67
Rot. Bonds3

About [4-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenyl]-piperidin-3-ylmethanol

[4-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenyl]-piperidin-3-ylmethanol (PubChem CID 167893520) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is [4-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenyl]-piperidin-3-ylmethanol.

Molecular Properties

Compound Name[4-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenyl]-piperidin-3-ylmethanol
PubChem CID167893520
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name[4-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenyl]-piperidin-3-ylmethanol
SMILESCn1ncc2cc(-c3ccc(C(O)C4CCCNC4)cc3)cnc21
InChIInChI=1S/C19H22N4O/c1-23-19-17(12-22-23)9-16(11-21-19)13-4-6-14(7-5-13)18(24)15-3-2-8-20-10-15/h4-7,9,11-12,15,18,20,24H,2-3,8,10H2,1H3
InChIKeyBQPDAIWNKSMSAF-UHFFFAOYSA-N
XLogP2.67
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenyl]-piperidin-3-ylmethanol?
The IUPAC name of [4-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenyl]-piperidin-3-ylmethanol (CID 167893520) is [4-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenyl]-piperidin-3-ylmethanol.
What is the SMILES notation for [4-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenyl]-piperidin-3-ylmethanol?
The canonical SMILES for [4-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenyl]-piperidin-3-ylmethanol is Cn1ncc2cc(-c3ccc(C(O)C4CCCNC4)cc3)cnc21.
What is the InChIKey of [4-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenyl]-piperidin-3-ylmethanol?
The InChIKey is BQPDAIWNKSMSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-23-19-17(12-22-23)9-16(11-21-19)13-4-6-14(7-5-13)18(24)15-3-2-8-20-10-15/h4-7,9,11-12,15,18,20,24H,2-3,8,10H2,1H3.
What are the key properties of [4-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenyl]-piperidin-3-ylmethanol?
[4-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenyl]-piperidin-3-ylmethanol has a molecular weight of 322.41 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylpyrazolo[3,4-b]pyridin-5-yl)phenyl]-piperidin-3-ylmethanol is sourced from PubChem (CID 167893520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).