3-methyl-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]thiophene-2-carboxamide

C19H21N5O3S — CID 91891229

IUPAC3-methyl-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESCc1cn2nc(C(=O)N3CCC(NC(=O)c4sccc4C)CC3)cc2c(=O)[nH]1
InChIInChI=1S/C19H21N5O3S/c1-11-5-8-28-16(11)18(26)21-13-3-6-23(7-4-13)19(27)14-9-15-17(25)20-12(2)10-24(15)22-14/h5,8-10,13H,3-4,6-7H2,1-2H3,(H,20,25)(H,21,26)
InChIKeyMSBIFGQTSAQVRJ-UHFFFAOYSA-N
MW399.48 g/mol
LogP1.74
Rot. Bonds3

About 3-methyl-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]thiophene-2-carboxamide

3-methyl-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 91891229) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is 3-methyl-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]thiophene-2-carboxamide
PubChem CID91891229
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC Name3-methyl-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]thiophene-2-carboxamide
SMILESCc1cn2nc(C(=O)N3CCC(NC(=O)c4sccc4C)CC3)cc2c(=O)[nH]1
InChIInChI=1S/C19H21N5O3S/c1-11-5-8-28-16(11)18(26)21-13-3-6-23(7-4-13)19(27)14-9-15-17(25)20-12(2)10-24(15)22-14/h5,8-10,13H,3-4,6-7H2,1-2H3,(H,20,25)(H,21,26)
InChIKeyMSBIFGQTSAQVRJ-UHFFFAOYSA-N
XLogP1.74
TPSA99.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 91891254
4-ethoxy-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 91891230
2-[(3S)-3-aminopyrrolidine-1-carbonyl]-6-methyl-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 99964747
3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 47114392
6-methyl-2-[3-[(3R)-1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]-1,2,4-oxadiazol-5-yl]-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 99752960
N-(1-ethylpiperidin-4-yl)-3-methylthiophene-2-carboxamide
CID 30768194
N-[4-[(dimethylamino)methyl]phenyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 166360930
trans-(1S,3S)-3-[(3-methylthiophene-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97318295
3-methyl-N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]thiophene-2-carboxamide
CID 91631465
(3R)-N-cyclopropyl-1-[1-(3-methylthiophene-2-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 42191973
N-[(3S)-1,1-dioxothiolan-3-yl]-3-methylthiophene-2-carboxamide
CID 30789391
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 81483119

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of 3-methyl-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]thiophene-2-carboxamide (CID 91891229) is 3-methyl-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 3-methyl-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]thiophene-2-carboxamide is Cc1cn2nc(C(=O)N3CCC(NC(=O)c4sccc4C)CC3)cc2c(=O)[nH]1.
What is the InChIKey of 3-methyl-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is MSBIFGQTSAQVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-11-5-8-28-16(11)18(26)21-13-3-6-23(7-4-13)19(27)14-9-15-17(25)20-12(2)10-24(15)22-14/h5,8-10,13H,3-4,6-7H2,1-2H3,(H,20,25)(H,21,26).
What are the key properties of 3-methyl-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]thiophene-2-carboxamide?
3-methyl-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 399.48 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 91891229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).