(4,5-dimethylthiophen-2-yl)-[(7S)-7-(pyrrolidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone

C19H26N4OS — CID 124912292

IUPAC(4,5-dimethylthiophen-2-yl)-[(7S)-7-(pyrrolidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
SMILESCc1cc(C(=O)N2Cc3ccnn3C[C@@H](CN3CCCC3)C2)sc1C
InChIInChI=1S/C19H26N4OS/c1-14-9-18(25-15(14)2)19(24)22-11-16(10-21-7-3-4-8-21)12-23-17(13-22)5-6-20-23/h5-6,9,16H,3-4,7-8,10-13H2,1-2H3/t16-/m0/s1
InChIKeyBURMEKYGGPQVRA-INIZCTEOSA-N
MW358.51 g/mol
LogP2.93
Rot. Bonds3

About (4,5-dimethylthiophen-2-yl)-[(7S)-7-(pyrrolidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone

(4,5-dimethylthiophen-2-yl)-[(7S)-7-(pyrrolidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone (PubChem CID 124912292) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is (4,5-dimethylthiophen-2-yl)-[(7S)-7-(pyrrolidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone.

Molecular Properties

Compound Name(4,5-dimethylthiophen-2-yl)-[(7S)-7-(pyrrolidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
PubChem CID124912292
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name(4,5-dimethylthiophen-2-yl)-[(7S)-7-(pyrrolidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
SMILESCc1cc(C(=O)N2Cc3ccnn3C[C@@H](CN3CCCC3)C2)sc1C
InChIInChI=1S/C19H26N4OS/c1-14-9-18(25-15(14)2)19(24)22-11-16(10-21-7-3-4-8-21)12-23-17(13-22)5-6-20-23/h5-6,9,16H,3-4,7-8,10-13H2,1-2H3/t16-/m0/s1
InChIKeyBURMEKYGGPQVRA-INIZCTEOSA-N
XLogP2.93
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4,5-dimethylthiophen-2-yl)-[(7S)-7-(pyrrolidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone with MolForge

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Related Compounds

5-[(2,5-dimethylpyrazol-3-yl)methyl]-7-(piperidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;bis(2,2,2-trifluoroacetic acid)
CID 155839991
(5-methylthiophen-2-yl)-[7-[(pyridin-2-ylamino)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 131669421
[3-(2-aminoethyl)piperidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone
CID 65238887
(7R)-5-[(3,4-difluorophenyl)methyl]-7-(pyrrolidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 124781866
2-[4-(4,5-dimethylthiophene-2-carbonyl)piperazin-1-yl]acetic acid
CID 43521227
[(7S)-7-(ethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 97463361
5-methyl-7-(2-pyrrolidin-1-ylethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 133137726
N-[[(7R)-5-(furan-3-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide
CID 124782709
furan-3-yl-[(6R)-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]methanone
CID 97462802
[(7S)-7-[2-(pyrimidin-2-ylamino)ethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-thiophen-2-ylmethanone
CID 124787566
N-[[5-(2-methyl-1,3-thiazole-4-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide
CID 131638831
[(7S)-7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyrrolidin-1-ylmethanone
CID 97463423

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethylthiophen-2-yl)-[(7S)-7-(pyrrolidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone?
The IUPAC name of (4,5-dimethylthiophen-2-yl)-[(7S)-7-(pyrrolidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone (CID 124912292) is (4,5-dimethylthiophen-2-yl)-[(7S)-7-(pyrrolidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone.
What is the SMILES notation for (4,5-dimethylthiophen-2-yl)-[(7S)-7-(pyrrolidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone?
The canonical SMILES for (4,5-dimethylthiophen-2-yl)-[(7S)-7-(pyrrolidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone is Cc1cc(C(=O)N2Cc3ccnn3C[C@@H](CN3CCCC3)C2)sc1C.
What is the InChIKey of (4,5-dimethylthiophen-2-yl)-[(7S)-7-(pyrrolidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone?
The InChIKey is BURMEKYGGPQVRA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-14-9-18(25-15(14)2)19(24)22-11-16(10-21-7-3-4-8-21)12-23-17(13-22)5-6-20-23/h5-6,9,16H,3-4,7-8,10-13H2,1-2H3/t16-/m0/s1.
What are the key properties of (4,5-dimethylthiophen-2-yl)-[(7S)-7-(pyrrolidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone?
(4,5-dimethylthiophen-2-yl)-[(7S)-7-(pyrrolidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone has a molecular weight of 358.51 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethylthiophen-2-yl)-[(7S)-7-(pyrrolidin-1-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone is sourced from PubChem (CID 124912292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).