1-[[3-(3-amino-1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]cyclohexan-1-ol

C19H29N5O — CID 110118742

IUPAC1-[[3-(3-amino-1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]cyclohexan-1-ol
SMILESCn1nc(N)c2ccc(C3CCCN(CC4(O)CCCCC4)C3)nc21
InChIInChI=1S/C19H29N5O/c1-23-18-15(17(20)22-23)7-8-16(21-18)14-6-5-11-24(12-14)13-19(25)9-3-2-4-10-19/h7-8,14,25H,2-6,9-13H2,1H3,(H2,20,22)
InChIKeyWZIDHBIXCCFWHR-UHFFFAOYSA-N
MW343.48 g/mol
LogP2.43
Rot. Bonds3

About 1-[[3-(3-amino-1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]cyclohexan-1-ol

1-[[3-(3-amino-1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]cyclohexan-1-ol (PubChem CID 110118742) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 1-[[3-(3-amino-1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[3-(3-amino-1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]cyclohexan-1-ol
PubChem CID110118742
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name1-[[3-(3-amino-1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]cyclohexan-1-ol
SMILESCn1nc(N)c2ccc(C3CCCN(CC4(O)CCCCC4)C3)nc21
InChIInChI=1S/C19H29N5O/c1-23-18-15(17(20)22-23)7-8-16(21-18)14-6-5-11-24(12-14)13-19(25)9-3-2-4-10-19/h7-8,14,25H,2-6,9-13H2,1H3,(H2,20,22)
InChIKeyWZIDHBIXCCFWHR-UHFFFAOYSA-N
XLogP2.43
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-amino-1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[3-(3-amino-1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]cyclohexan-1-ol (CID 110118742) is 1-[[3-(3-amino-1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[3-(3-amino-1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[3-(3-amino-1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]cyclohexan-1-ol is Cn1nc(N)c2ccc(C3CCCN(CC4(O)CCCCC4)C3)nc21.
What is the InChIKey of 1-[[3-(3-amino-1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]cyclohexan-1-ol?
The InChIKey is WZIDHBIXCCFWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-23-18-15(17(20)22-23)7-8-16(21-18)14-6-5-11-24(12-14)13-19(25)9-3-2-4-10-19/h7-8,14,25H,2-6,9-13H2,1H3,(H2,20,22).
What are the key properties of 1-[[3-(3-amino-1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]cyclohexan-1-ol?
1-[[3-(3-amino-1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]cyclohexan-1-ol has a molecular weight of 343.48 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-amino-1-methylpyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 110118742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).