2-[(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine

C17H29N5 — CID 56889504

IUPAC2-[(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
SMILESCN1CCC2(CCCN(Cc3cc4n(n3)CCCNC4)C2)C1
InChIInChI=1S/C17H29N5/c1-20-9-5-17(13-20)4-2-7-21(14-17)12-15-10-16-11-18-6-3-8-22(16)19-15/h10,18H,2-9,11-14H2,1H3
InChIKeyYFPVYUOIDVMNTQ-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.29
Rot. Bonds2

About 2-[(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine

2-[(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine (PubChem CID 56889504) has the molecular formula C17H29N5 and a molecular weight of 303.45 g/mol. Its IUPAC name is 2-[(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine.

Molecular Properties

Compound Name2-[(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
PubChem CID56889504
Molecular FormulaC17H29N5
Molecular Weight303.45 g/mol
Exact Mass303.24
IUPAC Name2-[(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
SMILESCN1CCC2(CCCN(Cc3cc4n(n3)CCCNC4)C2)C1
InChIInChI=1S/C17H29N5/c1-20-9-5-17(13-20)4-2-7-21(14-17)12-15-10-16-11-18-6-3-8-22(16)19-15/h10,18H,2-9,11-14H2,1H3
InChIKeyYFPVYUOIDVMNTQ-UHFFFAOYSA-N
XLogP1.29
TPSA36.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The IUPAC name of 2-[(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine (CID 56889504) is 2-[(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine.
What is the SMILES notation for 2-[(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The canonical SMILES for 2-[(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine is CN1CCC2(CCCN(Cc3cc4n(n3)CCCNC4)C2)C1.
What is the InChIKey of 2-[(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
The InChIKey is YFPVYUOIDVMNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5/c1-20-9-5-17(13-20)4-2-7-21(14-17)12-15-10-16-11-18-6-3-8-22(16)19-15/h10,18H,2-9,11-14H2,1H3.
What are the key properties of 2-[(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine?
2-[(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine has a molecular weight of 303.45 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)methyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine is sourced from PubChem (CID 56889504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).