N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

C20H28N4O — CID 71900391

IUPACN-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)n1ncc2cc(C(=O)NC3CCC4CCCCC4C3)cnc21
InChIInChI=1S/C20H28N4O/c1-13(2)24-19-16(12-22-24)9-17(11-21-19)20(25)23-18-8-7-14-5-3-4-6-15(14)10-18/h9,11-15,18H,3-8,10H2,1-2H3,(H,23,25)
InChIKeyBTFIHOWTGMEPDX-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.10
Rot. Bonds3

About N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 71900391) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID71900391
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCC(C)n1ncc2cc(C(=O)NC3CCC4CCCCC4C3)cnc21
InChIInChI=1S/C20H28N4O/c1-13(2)24-19-16(12-22-24)9-17(11-21-19)20(25)23-18-8-7-14-5-3-4-6-15(14)10-18/h9,11-15,18H,3-8,10H2,1-2H3,(H,23,25)
InChIKeyBTFIHOWTGMEPDX-UHFFFAOYSA-N
XLogP4.10
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 71900391) is N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is CC(C)n1ncc2cc(C(=O)NC3CCC4CCCCC4C3)cnc21.
What is the InChIKey of N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is BTFIHOWTGMEPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-13(2)24-19-16(12-22-24)9-17(11-21-19)20(25)23-18-8-7-14-5-3-4-6-15(14)10-18/h9,11-15,18H,3-8,10H2,1-2H3,(H,23,25).
What are the key properties of N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 71900391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).