N-cyclopropyl-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]acetamide

C14H19N5O3S — CID 51103261

IUPACN-cyclopropyl-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]acetamide
SMILESCc1nn(C)c2ncc(S(=O)(=O)N(C)CC(=O)NC3CC3)cc12
InChIInChI=1S/C14H19N5O3S/c1-9-12-6-11(7-15-14(12)19(3)17-9)23(21,22)18(2)8-13(20)16-10-4-5-10/h6-7,10H,4-5,8H2,1-3H3,(H,16,20)
InChIKeyVFHCDPVDHGORDJ-UHFFFAOYSA-N
MW337.41 g/mol
LogP0.18
Rot. Bonds5

About N-cyclopropyl-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]acetamide

N-cyclopropyl-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]acetamide (PubChem CID 51103261) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is N-cyclopropyl-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]acetamide
PubChem CID51103261
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC NameN-cyclopropyl-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]acetamide
SMILESCc1nn(C)c2ncc(S(=O)(=O)N(C)CC(=O)NC3CC3)cc12
InChIInChI=1S/C14H19N5O3S/c1-9-12-6-11(7-15-14(12)19(3)17-9)23(21,22)18(2)8-13(20)16-10-4-5-10/h6-7,10H,4-5,8H2,1-3H3,(H,16,20)
InChIKeyVFHCDPVDHGORDJ-UHFFFAOYSA-N
XLogP0.18
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2R)-3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]-2-methylpropanoate
CID 94811343
methyl (2S)-3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]-2-methylpropanoate
CID 94811344
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N,1,3-trimethylpyrazolo[5,4-b]pyridine-5-sulfonamide
CID 99818002
N-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31327880
N-cyclopropyl-3-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]propanamide
CID 78978693
methyl 2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-propylamino]acetate
CID 51103264
N-(4-hydroxycyclohexyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 43394642
2-[(6-carbamothioyl-3-pyridinyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 114614334
2-[(3-amino-5-fluoro-4-methylphenyl)sulfonyl-methylamino]-N-cyclopropylacetamide
CID 116791527
N-cyclopropyl-N-[(3,4-dimethylphenyl)methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide
CID 126780884
N-(8-azabicyclo[3.2.1]octan-3-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-sulfonamide
CID 119968198
N-cyclooctyl-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]acetamide
CID 20865917

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]acetamide (CID 51103261) is N-cyclopropyl-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]acetamide is Cc1nn(C)c2ncc(S(=O)(=O)N(C)CC(=O)NC3CC3)cc12.
What is the InChIKey of N-cyclopropyl-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]acetamide?
The InChIKey is VFHCDPVDHGORDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S/c1-9-12-6-11(7-15-14(12)19(3)17-9)23(21,22)18(2)8-13(20)16-10-4-5-10/h6-7,10H,4-5,8H2,1-3H3,(H,16,20).
What are the key properties of N-cyclopropyl-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]acetamide?
N-cyclopropyl-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]acetamide has a molecular weight of 337.41 g/mol, XLogP of 0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)sulfonyl-methylamino]acetamide is sourced from PubChem (CID 51103261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).