3-methyl-N-[5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-pyridinyl]butanamide

C21H19N5O2S — CID 44590724

IUPAC3-methyl-N-[5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-pyridinyl]butanamide
SMILESCC(C)CC(=O)Nc1cncc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1
InChIInChI=1S/C21H19N5O2S/c1-13(2)8-19(27)25-15-9-14(10-22-11-15)17-5-6-23-21-16(12-24-26(17)21)20(28)18-4-3-7-29-18/h3-7,9-13H,8H2,1-2H3,(H,25,27)
InChIKeyOAEOUDWDGLKKOJ-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.07
Rot. Bonds6

About 3-methyl-N-[5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-pyridinyl]butanamide

3-methyl-N-[5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-pyridinyl]butanamide (PubChem CID 44590724) has the molecular formula C21H19N5O2S and a molecular weight of 405.48 g/mol. Its IUPAC name is 3-methyl-N-[5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-pyridinyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-pyridinyl]butanamide
PubChem CID44590724
Molecular FormulaC21H19N5O2S
Molecular Weight405.48 g/mol
Exact Mass405.13
IUPAC Name3-methyl-N-[5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-pyridinyl]butanamide
SMILESCC(C)CC(=O)Nc1cncc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1
InChIInChI=1S/C21H19N5O2S/c1-13(2)8-19(27)25-15-9-14(10-22-11-15)17-5-6-23-21-16(12-24-26(17)21)20(28)18-4-3-7-29-18/h3-7,9-13H,8H2,1-2H3,(H,25,27)
InChIKeyOAEOUDWDGLKKOJ-UHFFFAOYSA-N
XLogP4.07
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-methyl-N-[5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-pyridinyl]butanamide with MolForge

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Related Compounds

Indiplon
CID 6450813
US10100058, Example 145
CID 134540190
Lorediplon
CID 12004146
N-(Pyridin-3-Yl)-2-(Thiophen-3-Yl)-3h-Imidazo[4,5-B]pyridine-7-Carboxamide
CID 56603827
N-[(1R,2S)-2-aminocyclohexyl]-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]thiophene-2-carboxamide
CID 59603842
Mark-IN-4
CID 68776463
4-(4-thieno[2,3-d]pyrimidinylamino)-N-(4-((4-methyl-1-piperazinyl)methyl)phenyl)-1H-3-pyrazole carboxamide
CID 72194525
N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-4-(thieno[3,2-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide
CID 72195318
N-[(1R,3S)-3-[[5-fluoro-2-(5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]cyclohexyl]thiophene-3-carboxamide
CID 89913832
US10100058, Example 162
CID 134539487
US10100058, Example 108
CID 134539513
US10100058, Example 4
CID 134539764

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-pyridinyl]butanamide?
The IUPAC name of 3-methyl-N-[5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-pyridinyl]butanamide (CID 44590724) is 3-methyl-N-[5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-pyridinyl]butanamide.
What is the SMILES notation for 3-methyl-N-[5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-pyridinyl]butanamide?
The canonical SMILES for 3-methyl-N-[5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-pyridinyl]butanamide is CC(C)CC(=O)Nc1cncc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1.
What is the InChIKey of 3-methyl-N-[5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-pyridinyl]butanamide?
The InChIKey is OAEOUDWDGLKKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2S/c1-13(2)8-19(27)25-15-9-14(10-22-11-15)17-5-6-23-21-16(12-24-26(17)21)20(28)18-4-3-7-29-18/h3-7,9-13H,8H2,1-2H3,(H,25,27).
What are the key properties of 3-methyl-N-[5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-pyridinyl]butanamide?
3-methyl-N-[5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-pyridinyl]butanamide has a molecular weight of 405.48 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-[3-(thiophene-2-carbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-pyridinyl]butanamide is sourced from PubChem (CID 44590724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).