(7R)-7-(pyridin-2-ylmethoxy)-5-(thiophen-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine

C18H20N4OS — CID 124909624

IUPAC(7R)-7-(pyridin-2-ylmethoxy)-5-(thiophen-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
SMILESc1ccc(CO[C@@H]2CN(Cc3cccs3)Cc3ccnn3C2)nc1
InChIInChI=1S/C18H20N4OS/c1-2-7-19-15(4-1)14-23-17-11-21(13-18-5-3-9-24-18)10-16-6-8-20-22(16)12-17/h1-9,17H,10-14H2/t17-/m1/s1
InChIKeyUBIBNJPQZFBXRL-QGZVFWFLSA-N
MW340.45 g/mol
LogP2.94
Rot. Bonds5

About (7R)-7-(pyridin-2-ylmethoxy)-5-(thiophen-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine

(7R)-7-(pyridin-2-ylmethoxy)-5-(thiophen-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine (PubChem CID 124909624) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is (7R)-7-(pyridin-2-ylmethoxy)-5-(thiophen-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name(7R)-7-(pyridin-2-ylmethoxy)-5-(thiophen-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
PubChem CID124909624
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name(7R)-7-(pyridin-2-ylmethoxy)-5-(thiophen-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
SMILESc1ccc(CO[C@@H]2CN(Cc3cccs3)Cc3ccnn3C2)nc1
InChIInChI=1S/C18H20N4OS/c1-2-7-19-15(4-1)14-23-17-11-21(13-18-5-3-9-24-18)10-16-6-8-20-22(16)12-17/h1-9,17H,10-14H2/t17-/m1/s1
InChIKeyUBIBNJPQZFBXRL-QGZVFWFLSA-N
XLogP2.94
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-4-(pyridin-2-ylmethoxymethyl)-2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 124909588
(7R)-7-(pyridin-2-ylmethoxymethyl)-5-(pyridin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 97463588
4-(pyridin-3-ylmethoxy)-2-(thiophen-2-ylmethyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine
CID 131650570
1-[(7R)-7-(pyridin-4-ylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-thiophen-2-ylethanone
CID 124788150
5-(furan-3-ylmethyl)-7-(pyridin-2-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 131642580
1-[7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-thiophen-2-ylethanone
CID 133142164
7-(pyridin-2-ylmethoxymethyl)-5-(pyridin-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;bis(2,2,2-trifluoroacetic acid)
CID 155862056
(7R)-5-[(3,4-difluorophenyl)methyl]-7-(pyridin-4-ylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 124782741
4-methyl-5-[[4-(pyridin-2-ylmethoxy)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 155840301
5-[(3-methylthiophen-2-yl)methyl]-7-(pyridin-4-ylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;bis(2,2,2-trifluoroacetic acid)
CID 155844173
3-methyl-5-[5-(pyridin-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]-1,2,4-oxadiazole
CID 131652919
2-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]oxymethyl]pyridine
CID 56896073

Frequently Asked Questions

What is the IUPAC name of (7R)-7-(pyridin-2-ylmethoxy)-5-(thiophen-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The IUPAC name of (7R)-7-(pyridin-2-ylmethoxy)-5-(thiophen-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine (CID 124909624) is (7R)-7-(pyridin-2-ylmethoxy)-5-(thiophen-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for (7R)-7-(pyridin-2-ylmethoxy)-5-(thiophen-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The canonical SMILES for (7R)-7-(pyridin-2-ylmethoxy)-5-(thiophen-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine is c1ccc(CO[C@@H]2CN(Cc3cccs3)Cc3ccnn3C2)nc1.
What is the InChIKey of (7R)-7-(pyridin-2-ylmethoxy)-5-(thiophen-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
The InChIKey is UBIBNJPQZFBXRL-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-2-7-19-15(4-1)14-23-17-11-21(13-18-5-3-9-24-18)10-16-6-8-20-22(16)12-17/h1-9,17H,10-14H2/t17-/m1/s1.
What are the key properties of (7R)-7-(pyridin-2-ylmethoxy)-5-(thiophen-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine?
(7R)-7-(pyridin-2-ylmethoxy)-5-(thiophen-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine has a molecular weight of 340.45 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(pyridin-2-ylmethoxy)-5-(thiophen-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 124909624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).