N-[[5-[(4-aminocyclohexyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide

C20H33N5O — CID 70736466

IUPACN-[[5-[(4-aminocyclohexyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide
SMILESNC1CCC(CN2CCCn3nc(CNC(=O)C4CCC4)cc3C2)CC1
InChIInChI=1S/C20H33N5O/c21-17-7-5-15(6-8-17)13-24-9-2-10-25-19(14-24)11-18(23-25)12-22-20(26)16-3-1-4-16/h11,15-17H,1-10,12-14,21H2,(H,22,26)
InChIKeyFFGPSNQEUOIWAH-UHFFFAOYSA-N
MW359.52 g/mol
LogP2.02
Rot. Bonds5

About N-[[5-[(4-aminocyclohexyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide

N-[[5-[(4-aminocyclohexyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide (PubChem CID 70736466) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is N-[[5-[(4-aminocyclohexyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[5-[(4-aminocyclohexyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide
PubChem CID70736466
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC NameN-[[5-[(4-aminocyclohexyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide
SMILESNC1CCC(CN2CCCn3nc(CNC(=O)C4CCC4)cc3C2)CC1
InChIInChI=1S/C20H33N5O/c21-17-7-5-15(6-8-17)13-24-9-2-10-25-19(14-24)11-18(23-25)12-22-20(26)16-3-1-4-16/h11,15-17H,1-10,12-14,21H2,(H,22,26)
InChIKeyFFGPSNQEUOIWAH-UHFFFAOYSA-N
XLogP2.02
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-aminocyclohexyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[5-[(4-aminocyclohexyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide (CID 70736466) is N-[[5-[(4-aminocyclohexyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[5-[(4-aminocyclohexyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[5-[(4-aminocyclohexyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide is NC1CCC(CN2CCCn3nc(CNC(=O)C4CCC4)cc3C2)CC1.
What is the InChIKey of N-[[5-[(4-aminocyclohexyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide?
The InChIKey is FFGPSNQEUOIWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O/c21-17-7-5-15(6-8-17)13-24-9-2-10-25-19(14-24)11-18(23-25)12-22-20(26)16-3-1-4-16/h11,15-17H,1-10,12-14,21H2,(H,22,26).
What are the key properties of N-[[5-[(4-aminocyclohexyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide?
N-[[5-[(4-aminocyclohexyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide has a molecular weight of 359.52 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-aminocyclohexyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 70736466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).