N-(1-methylsulfonylpiperidin-4-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

C19H29N5O3S — CID 39999731

IUPACN-(1-methylsulfonylpiperidin-4-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)c1cc(C(=O)NC2CCN(S(C)(=O)=O)CC2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C19H29N5O3S/c1-12(2)17-10-15(16-11-20-24(13(3)4)18(16)22-17)19(25)21-14-6-8-23(9-7-14)28(5,26)27/h10-14H,6-9H2,1-5H3,(H,21,25)
InChIKeyZXHSIMHJDYNYTG-UHFFFAOYSA-N
MW407.54 g/mol
LogP2.29
Rot. Bonds5

About N-(1-methylsulfonylpiperidin-4-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

N-(1-methylsulfonylpiperidin-4-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 39999731) has the molecular formula C19H29N5O3S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-(1-methylsulfonylpiperidin-4-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-methylsulfonylpiperidin-4-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID39999731
Molecular FormulaC19H29N5O3S
Molecular Weight407.54 g/mol
Exact Mass407.20
IUPAC NameN-(1-methylsulfonylpiperidin-4-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCC(C)c1cc(C(=O)NC2CCN(S(C)(=O)=O)CC2)c2cnn(C(C)C)c2n1
InChIInChI=1S/C19H29N5O3S/c1-12(2)17-10-15(16-11-20-24(13(3)4)18(16)22-17)19(25)21-14-6-8-23(9-7-14)28(5,26)27/h10-14H,6-9H2,1-5H3,(H,21,25)
InChIKeyZXHSIMHJDYNYTG-UHFFFAOYSA-N
XLogP2.29
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylsulfonylpiperidin-4-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(1-methylsulfonylpiperidin-4-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 39999731) is N-(1-methylsulfonylpiperidin-4-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(1-methylsulfonylpiperidin-4-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(1-methylsulfonylpiperidin-4-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is CC(C)c1cc(C(=O)NC2CCN(S(C)(=O)=O)CC2)c2cnn(C(C)C)c2n1.
What is the InChIKey of N-(1-methylsulfonylpiperidin-4-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is ZXHSIMHJDYNYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3S/c1-12(2)17-10-15(16-11-20-24(13(3)4)18(16)22-17)19(25)21-14-6-8-23(9-7-14)28(5,26)27/h10-14H,6-9H2,1-5H3,(H,21,25).
What are the key properties of N-(1-methylsulfonylpiperidin-4-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?
N-(1-methylsulfonylpiperidin-4-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 407.54 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylsulfonylpiperidin-4-yl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 39999731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).