cyclobutyl-[4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-diazepan-1-yl]methanone

C19H27N5O — CID 56885348

IUPACcyclobutyl-[4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-diazepan-1-yl]methanone
SMILESCC(C)c1cc(N2CCCN(C(=O)C3CCC3)CC2)n2nccc2n1
InChIInChI=1S/C19H27N5O/c1-14(2)16-13-18(24-17(21-16)7-8-20-24)22-9-4-10-23(12-11-22)19(25)15-5-3-6-15/h7-8,13-15H,3-6,9-12H2,1-2H3
InChIKeyDJQFROHXOGMYRD-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.69
Rot. Bonds3

About cyclobutyl-[4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-diazepan-1-yl]methanone

cyclobutyl-[4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-diazepan-1-yl]methanone (PubChem CID 56885348) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is cyclobutyl-[4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-diazepan-1-yl]methanone
PubChem CID56885348
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Namecyclobutyl-[4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-diazepan-1-yl]methanone
SMILESCC(C)c1cc(N2CCCN(C(=O)C3CCC3)CC2)n2nccc2n1
InChIInChI=1S/C19H27N5O/c1-14(2)16-13-18(24-17(21-16)7-8-20-24)22-9-4-10-23(12-11-22)19(25)15-5-3-6-15/h7-8,13-15H,3-6,9-12H2,1-2H3
InChIKeyDJQFROHXOGMYRD-UHFFFAOYSA-N
XLogP2.69
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-diazepan-1-yl]methanone (CID 56885348) is cyclobutyl-[4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-diazepan-1-yl]methanone is CC(C)c1cc(N2CCCN(C(=O)C3CCC3)CC2)n2nccc2n1.
What is the InChIKey of cyclobutyl-[4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-diazepan-1-yl]methanone?
The InChIKey is DJQFROHXOGMYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-14(2)16-13-18(24-17(21-16)7-8-20-24)22-9-4-10-23(12-11-22)19(25)15-5-3-6-15/h7-8,13-15H,3-6,9-12H2,1-2H3.
What are the key properties of cyclobutyl-[4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-diazepan-1-yl]methanone?
cyclobutyl-[4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-diazepan-1-yl]methanone has a molecular weight of 341.46 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-(5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 56885348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).