N-(cyclopropylmethyl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide

C12H14N4O — CID 166220823

IUPACN-(cyclopropylmethyl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCn1ncc2cc(C(=O)NCC3CC3)cnc21
InChIInChI=1S/C12H14N4O/c1-16-11-9(7-15-16)4-10(6-13-11)12(17)14-5-8-2-3-8/h4,6-8H,2-3,5H2,1H3,(H,14,17)
InChIKeyZQAVTNMWZGNDKM-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.11
Rot. Bonds3

About N-(cyclopropylmethyl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide

N-(cyclopropylmethyl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 166220823) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID166220823
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-(cyclopropylmethyl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCn1ncc2cc(C(=O)NCC3CC3)cnc21
InChIInChI=1S/C12H14N4O/c1-16-11-9(7-15-16)4-10(6-13-11)12(17)14-5-8-2-3-8/h4,6-8H,2-3,5H2,1H3,(H,14,17)
InChIKeyZQAVTNMWZGNDKM-UHFFFAOYSA-N
XLogP1.11
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 166220665
2-(2-chlorophenyl)-N-(cyclopropylmethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 70783723
5,6-dichloro-N-[(4-ethylcyclohexyl)methyl]pyridine-3-carboxamide
CID 63482413
N-(cyclopropylmethyl)-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134799302
N-[[4-(2,3-dihydro-1-benzofuran-5-yl)phenyl]methyl]-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 166220755
N-(cyclopropylmethyl)-2-methyltriazole-4-carboxamide
CID 130608801
N-[(4-bromocyclohexyl)methyl]-1,5-dimethylpyrazole-4-carboxamide
CID 114148088
N-[3-chloro-4-(propylcarbamoyl)phenyl]-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 167913185
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(2-methylpropyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 120943720
N-(cyclohexylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 25182094
3,5-dihydroxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 104938964
N-(5-methylhexan-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 16581530

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 166220823) is N-(cyclopropylmethyl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide is Cn1ncc2cc(C(=O)NCC3CC3)cnc21.
What is the InChIKey of N-(cyclopropylmethyl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is ZQAVTNMWZGNDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-16-11-9(7-15-16)4-10(6-13-11)12(17)14-5-8-2-3-8/h4,6-8H,2-3,5H2,1H3,(H,14,17).
What are the key properties of N-(cyclopropylmethyl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-(cyclopropylmethyl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 166220823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).