2-methyl-4-[[(7R)-5-[(3S)-oxolan-3-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxymethyl]-1,3-thiazole

C17H24N4O2S — CID 98777713

IUPAC2-methyl-4-[[(7R)-5-[(3S)-oxolan-3-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxymethyl]-1,3-thiazole
SMILESCc1nc(COC[C@@H]2CN([C@H]3CCOC3)Cc3ccnn3C2)cs1
InChIInChI=1S/C17H24N4O2S/c1-13-19-15(12-24-13)10-23-9-14-6-20(17-3-5-22-11-17)8-16-2-4-18-21(16)7-14/h2,4,12,14,17H,3,5-11H2,1H3/t14-,17+/m1/s1
InChIKeyWPPPUARNUCANRV-PBHICJAKSA-N
MW348.47 g/mol
LogP2.09
Rot. Bonds5

About 2-methyl-4-[[(7R)-5-[(3S)-oxolan-3-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxymethyl]-1,3-thiazole

2-methyl-4-[[(7R)-5-[(3S)-oxolan-3-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxymethyl]-1,3-thiazole (PubChem CID 98777713) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 2-methyl-4-[[(7R)-5-[(3S)-oxolan-3-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxymethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[[(7R)-5-[(3S)-oxolan-3-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxymethyl]-1,3-thiazole
PubChem CID98777713
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name2-methyl-4-[[(7R)-5-[(3S)-oxolan-3-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxymethyl]-1,3-thiazole
SMILESCc1nc(COC[C@@H]2CN([C@H]3CCOC3)Cc3ccnn3C2)cs1
InChIInChI=1S/C17H24N4O2S/c1-13-19-15(12-24-13)10-23-9-14-6-20(17-3-5-22-11-17)8-16-2-4-18-21(16)7-14/h2,4,12,14,17H,3,5-11H2,1H3/t14-,17+/m1/s1
InChIKeyWPPPUARNUCANRV-PBHICJAKSA-N
XLogP2.09
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(7S)-5-[(3S)-oxolan-3-yl]-7-(pyridin-3-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 124909429
N,N-dimethyl-2-[[(7S)-5-[(3S)-oxolan-3-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxy]acetamide
CID 98812514
5-(oxolan-3-yl)-7-(pyridin-2-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;bis(2,2,2-trifluoroacetic acid)
CID 155836437
(7R)-7-(ethoxymethyl)-5-[[(3S)-oxolan-3-yl]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 124521580
4-[(5-cyclopentyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)oxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 155832867
2-methyl-4-[[4-[(3S)-oxolan-3-yl]-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-1-yl]methyl]-1,3-thiazole
CID 98777803
4-[(5-cyclopropylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)oxymethyl]-2-methyl-1,3-thiazole
CID 131655530
1-[6-[(2-methyl-1,3-thiazol-4-yl)methoxymethyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone
CID 134069031
N-[(2-methyl-1,3-thiazol-4-yl)methyl]oxolan-3-amine
CID 63335816
4-[(5-cyclopropylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl)oxymethyl]-2-methyl-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 155831348
1-[2-[(7R)-5-(oxan-4-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]ethyl]pyrrolidin-2-one
CID 124916374
(3-methylfuran-2-yl)-[7-[(2-methyl-1,3-thiazol-4-yl)methoxy]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 133140267

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[(7R)-5-[(3S)-oxolan-3-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxymethyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[[(7R)-5-[(3S)-oxolan-3-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxymethyl]-1,3-thiazole (CID 98777713) is 2-methyl-4-[[(7R)-5-[(3S)-oxolan-3-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxymethyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[[(7R)-5-[(3S)-oxolan-3-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxymethyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[[(7R)-5-[(3S)-oxolan-3-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxymethyl]-1,3-thiazole is Cc1nc(COC[C@@H]2CN([C@H]3CCOC3)Cc3ccnn3C2)cs1.
What is the InChIKey of 2-methyl-4-[[(7R)-5-[(3S)-oxolan-3-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxymethyl]-1,3-thiazole?
The InChIKey is WPPPUARNUCANRV-PBHICJAKSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-13-19-15(12-24-13)10-23-9-14-6-20(17-3-5-22-11-17)8-16-2-4-18-21(16)7-14/h2,4,12,14,17H,3,5-11H2,1H3/t14-,17+/m1/s1.
What are the key properties of 2-methyl-4-[[(7R)-5-[(3S)-oxolan-3-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxymethyl]-1,3-thiazole?
2-methyl-4-[[(7R)-5-[(3S)-oxolan-3-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxymethyl]-1,3-thiazole has a molecular weight of 348.47 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[(7R)-5-[(3S)-oxolan-3-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methoxymethyl]-1,3-thiazole is sourced from PubChem (CID 98777713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).