[7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(1-methylindazol-3-yl)methanone

C20H23N5O2 — CID 133136803

IUPAC[7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(1-methylindazol-3-yl)methanone
SMILESCn1nc(C(=O)N2Cc3ccnn3CC(OCC3CC3)C2)c2ccccc21
InChIInChI=1S/C20H23N5O2/c1-23-18-5-3-2-4-17(18)19(22-23)20(26)24-10-15-8-9-21-25(15)12-16(11-24)27-13-14-6-7-14/h2-5,8-9,14,16H,6-7,10-13H2,1H3
InChIKeyFZKCSFLGTIKGHO-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.22
Rot. Bonds4

About [7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(1-methylindazol-3-yl)methanone

[7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(1-methylindazol-3-yl)methanone (PubChem CID 133136803) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is [7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(1-methylindazol-3-yl)methanone.

Molecular Properties

Compound Name[7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(1-methylindazol-3-yl)methanone
PubChem CID133136803
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name[7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(1-methylindazol-3-yl)methanone
SMILESCn1nc(C(=O)N2Cc3ccnn3CC(OCC3CC3)C2)c2ccccc21
InChIInChI=1S/C20H23N5O2/c1-23-18-5-3-2-4-17(18)19(22-23)20(26)24-10-15-8-9-21-25(15)12-16(11-24)27-13-14-6-7-14/h2-5,8-9,14,16H,6-7,10-13H2,1H3
InChIKeyFZKCSFLGTIKGHO-UHFFFAOYSA-N
XLogP2.22
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(4R)-4-ethoxy-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-(1-methylindazol-3-yl)methanone
CID 124811839
1-[7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-methylsulfanylethanone
CID 131694281
[(7R)-7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(2-methylfuran-3-yl)methanone
CID 124811147
[7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(2,3-dihydro-1,4-benzodioxin-5-yl)methanone
CID 133142311
[(6R)-6-(ethoxymethyl)-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepin-8-yl]-(1-methylindazol-3-yl)methanone
CID 97475300
1-[7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-thiophen-2-ylethanone
CID 133142164
[3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103120147
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 166081502
(1-methylindazol-3-yl)-pyrrolidin-1-ylmethanone
CID 110848618
(4-bromopiperidin-1-yl)-(1-methylindazol-3-yl)methanone
CID 103122439
[3-(methylamino)pyrrolidin-1-yl]-(1-methylindazol-3-yl)methanone
CID 103121000
[2-(aminomethyl)-6-methylmorpholin-4-yl]-(1-methylindazol-3-yl)methanone
CID 103123263

Frequently Asked Questions

What is the IUPAC name of [7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(1-methylindazol-3-yl)methanone?
The IUPAC name of [7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(1-methylindazol-3-yl)methanone (CID 133136803) is [7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(1-methylindazol-3-yl)methanone.
What is the SMILES notation for [7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(1-methylindazol-3-yl)methanone?
The canonical SMILES for [7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(1-methylindazol-3-yl)methanone is Cn1nc(C(=O)N2Cc3ccnn3CC(OCC3CC3)C2)c2ccccc21.
What is the InChIKey of [7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(1-methylindazol-3-yl)methanone?
The InChIKey is FZKCSFLGTIKGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-23-18-5-3-2-4-17(18)19(22-23)20(26)24-10-15-8-9-21-25(15)12-16(11-24)27-13-14-6-7-14/h2-5,8-9,14,16H,6-7,10-13H2,1H3.
What are the key properties of [7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(1-methylindazol-3-yl)methanone?
[7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(1-methylindazol-3-yl)methanone has a molecular weight of 365.44 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(cyclopropylmethoxy)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(1-methylindazol-3-yl)methanone is sourced from PubChem (CID 133136803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).