N-(cyclopropylmethyl)-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C16H16N4OS — CID 134799302

IUPACN-(cyclopropylmethyl)-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)NCC3CC3)cc(-c3ccsc3)nc21
InChIInChI=1S/C16H16N4OS/c1-20-15-13(8-18-20)12(16(21)17-7-10-2-3-10)6-14(19-15)11-4-5-22-9-11/h4-6,8-10H,2-3,7H2,1H3,(H,17,21)
InChIKeyMMRPQWTUTPHGMD-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.84
Rot. Bonds4

About N-(cyclopropylmethyl)-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide

N-(cyclopropylmethyl)-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134799302) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134799302
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC NameN-(cyclopropylmethyl)-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)NCC3CC3)cc(-c3ccsc3)nc21
InChIInChI=1S/C16H16N4OS/c1-20-15-13(8-18-20)12(16(21)17-7-10-2-3-10)6-14(19-15)11-4-5-22-9-11/h4-6,8-10H,2-3,7H2,1H3,(H,17,21)
InChIKeyMMRPQWTUTPHGMD-UHFFFAOYSA-N
XLogP2.84
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-(pyridin-2-ylmethyl)-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134797408
N-[(3-methoxyphenyl)methyl]-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134797275
N-(cyclohexylmethyl)-6-(2-fluorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803539
1-methyl-6-phenyl-N-(thiophen-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134791791
6-(4-methoxyphenyl)-1-methyl-N-prop-2-ynylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134802899
N-(cyclopropylmethyl)-1-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 166220823
6-(4-methoxyphenyl)-1-methyl-N-pentylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134800939
N-cyclopropyl-6-(2,4-dichlorophenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134794872
6-(6-chloro-3-pyridinyl)-N-cyclopentyl-1-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134793381
N-[2-(4-chlorophenyl)ethyl]-1-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134799362
6-(4-fluorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134787979
N-[3-(2-methylpiperidin-1-yl)propyl]-2-thiophen-3-ylquinoline-4-carboxamide
CID 42749495

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 134799302) is N-(cyclopropylmethyl)-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide is Cn1ncc2c(C(=O)NCC3CC3)cc(-c3ccsc3)nc21.
What is the InChIKey of N-(cyclopropylmethyl)-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is MMRPQWTUTPHGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-20-15-13(8-18-20)12(16(21)17-7-10-2-3-10)6-14(19-15)11-4-5-22-9-11/h4-6,8-10H,2-3,7H2,1H3,(H,17,21).
What are the key properties of N-(cyclopropylmethyl)-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide?
N-(cyclopropylmethyl)-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-methyl-6-thiophen-3-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134799302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).