N-(spiro[2.5]octan-2-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

C16H20N4O — CID 130289883

IUPACN-(spiro[2.5]octan-2-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESO=C(NCC1CC12CCCCC2)c1cnc2[nH]ncc2c1
InChIInChI=1S/C16H20N4O/c21-15(12-6-11-9-19-20-14(11)17-8-12)18-10-13-7-16(13)4-2-1-3-5-16/h6,8-9,13H,1-5,7,10H2,(H,18,21)(H,17,19,20)
InChIKeyAUNHBVVFZSGWDP-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.66
Rot. Bonds3

About N-(spiro[2.5]octan-2-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

N-(spiro[2.5]octan-2-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 130289883) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(spiro[2.5]octan-2-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(spiro[2.5]octan-2-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID130289883
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-(spiro[2.5]octan-2-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESO=C(NCC1CC12CCCCC2)c1cnc2[nH]ncc2c1
InChIInChI=1S/C16H20N4O/c21-15(12-6-11-9-19-20-14(11)17-8-12)18-10-13-7-16(13)4-2-1-3-5-16/h6,8-9,13H,1-5,7,10H2,(H,18,21)(H,17,19,20)
InChIKeyAUNHBVVFZSGWDP-UHFFFAOYSA-N
XLogP2.66
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(spiro[2.5]octan-2-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(spiro[2.5]octan-2-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (CID 130289883) is N-(spiro[2.5]octan-2-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(spiro[2.5]octan-2-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(spiro[2.5]octan-2-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is O=C(NCC1CC12CCCCC2)c1cnc2[nH]ncc2c1.
What is the InChIKey of N-(spiro[2.5]octan-2-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is AUNHBVVFZSGWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c21-15(12-6-11-9-19-20-14(11)17-8-12)18-10-13-7-16(13)4-2-1-3-5-16/h6,8-9,13H,1-5,7,10H2,(H,18,21)(H,17,19,20).
What are the key properties of N-(spiro[2.5]octan-2-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
N-(spiro[2.5]octan-2-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(spiro[2.5]octan-2-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 130289883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).