[2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyrrolidin-1-ylmethanone

C18H26N6OS — CID 56899842

IUPAC[2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCN(Cc1cc2n(n1)CCCN(C(=O)N1CCCC1)C2)Cc1nccs1
InChIInChI=1S/C18H26N6OS/c1-21(14-17-19-5-10-26-17)12-15-11-16-13-23(8-4-9-24(16)20-15)18(25)22-6-2-3-7-22/h5,10-11H,2-4,6-9,12-14H2,1H3
InChIKeyAUNNCLIZRIOEJI-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.39
Rot. Bonds4

About [2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyrrolidin-1-ylmethanone

[2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyrrolidin-1-ylmethanone (PubChem CID 56899842) has the molecular formula C18H26N6OS and a molecular weight of 374.51 g/mol. Its IUPAC name is [2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyrrolidin-1-ylmethanone
PubChem CID56899842
Molecular FormulaC18H26N6OS
Molecular Weight374.51 g/mol
Exact Mass374.19
IUPAC Name[2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyrrolidin-1-ylmethanone
SMILESCN(Cc1cc2n(n1)CCCN(C(=O)N1CCCC1)C2)Cc1nccs1
InChIInChI=1S/C18H26N6OS/c1-21(14-17-19-5-10-26-17)12-15-11-16-13-23(8-4-9-24(16)20-15)18(25)22-6-2-3-7-22/h5,10-11H,2-4,6-9,12-14H2,1H3
InChIKeyAUNNCLIZRIOEJI-UHFFFAOYSA-N
XLogP2.39
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyrrolidin-1-ylmethanone (CID 56899842) is [2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyrrolidin-1-ylmethanone is CN(Cc1cc2n(n1)CCCN(C(=O)N1CCCC1)C2)Cc1nccs1.
What is the InChIKey of [2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is AUNNCLIZRIOEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6OS/c1-21(14-17-19-5-10-26-17)12-15-11-16-13-23(8-4-9-24(16)20-15)18(25)22-6-2-3-7-22/h5,10-11H,2-4,6-9,12-14H2,1H3.
What are the key properties of [2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyrrolidin-1-ylmethanone?
[2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 374.51 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[methyl(1,3-thiazol-2-ylmethyl)amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 56899842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).