1-heptan-2-yl-3-methylpyrazolo[5,4-b]pyridine

C14H21N3 — CID 139448072

IUPAC1-heptan-2-yl-3-methylpyrazolo[5,4-b]pyridine
SMILESCCCCCC(C)n1nc(C)c2cccnc21
InChIInChI=1S/C14H21N3/c1-4-5-6-8-11(2)17-14-13(12(3)16-17)9-7-10-15-14/h7,9-11H,4-6,8H2,1-3H3
InChIKeyVUASBUVIYXDRON-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.88
Rot. Bonds5

About 1-heptan-2-yl-3-methylpyrazolo[5,4-b]pyridine

1-heptan-2-yl-3-methylpyrazolo[5,4-b]pyridine (PubChem CID 139448072) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-heptan-2-yl-3-methylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-heptan-2-yl-3-methylpyrazolo[5,4-b]pyridine
PubChem CID139448072
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name1-heptan-2-yl-3-methylpyrazolo[5,4-b]pyridine
SMILESCCCCCC(C)n1nc(C)c2cccnc21
InChIInChI=1S/C14H21N3/c1-4-5-6-8-11(2)17-14-13(12(3)16-17)9-7-10-15-14/h7,9-11H,4-6,8H2,1-3H3
InChIKeyVUASBUVIYXDRON-UHFFFAOYSA-N
XLogP3.88
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-octan-2-ylpyrazol-3-amine
CID 43130133
2-methyl-N-undecan-6-ylpyridin-3-amine
CID 79042417
3-undecan-4-ylimidazo[4,5-b]pyridine
CID 138744361
2,2-difluoro-3-(1-heptan-2-yl-3-methylindazol-5-yl)oxy-N-methylpropan-1-amine
CID 166836172
1-(2-methyl-3-pyridinyl)tridecan-1-amine
CID 105138527
2-(chloromethyl)-3-hexan-2-ylimidazo[4,5-b]pyridine
CID 79294961
1-heptan-2-yl-2,5-dimethylpyrrole
CID 63404385
N-methyl-1-(2-methyl-3-pyridinyl)octan-1-amine
CID 105124578
6-N-heptan-2-ylquinoline-5,6-diamine
CID 61464313
2-(1-bromohexadecyl)pyridine;hydrate
CID 175001127
N-ethyl-1-quinolin-5-ylhexan-1-amine
CID 105020078
4-(5-methyl-2-octan-2-yl-1,2,4-triazol-3-yl)phenol
CID 136783182

Frequently Asked Questions

What is the IUPAC name of 1-heptan-2-yl-3-methylpyrazolo[5,4-b]pyridine?
The IUPAC name of 1-heptan-2-yl-3-methylpyrazolo[5,4-b]pyridine (CID 139448072) is 1-heptan-2-yl-3-methylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-heptan-2-yl-3-methylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-heptan-2-yl-3-methylpyrazolo[5,4-b]pyridine is CCCCCC(C)n1nc(C)c2cccnc21.
What is the InChIKey of 1-heptan-2-yl-3-methylpyrazolo[5,4-b]pyridine?
The InChIKey is VUASBUVIYXDRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-4-5-6-8-11(2)17-14-13(12(3)16-17)9-7-10-15-14/h7,9-11H,4-6,8H2,1-3H3.
What are the key properties of 1-heptan-2-yl-3-methylpyrazolo[5,4-b]pyridine?
1-heptan-2-yl-3-methylpyrazolo[5,4-b]pyridine has a molecular weight of 231.34 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptan-2-yl-3-methylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 139448072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).