(2S)-1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-(tetrazol-1-yl)propan-1-one

C17H24N8O2 — CID 72928731

IUPAC(2S)-1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-(tetrazol-1-yl)propan-1-one
SMILESCCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@H](C)n1cnnn1)CC2
InChIInChI=1S/C17H24N8O2/c1-3-14(26)24-7-4-13-15(19-10-18-13)17(24)5-8-23(9-6-17)16(27)12(2)25-11-20-21-22-25/h10-12H,3-9H2,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyYTKUFCVMDJPTBN-LBPRGKRZSA-N
MW372.43 g/mol
LogP0.27
Rot. Bonds3

About (2S)-1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-(tetrazol-1-yl)propan-1-one

(2S)-1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-(tetrazol-1-yl)propan-1-one (PubChem CID 72928731) has the molecular formula C17H24N8O2 and a molecular weight of 372.43 g/mol. Its IUPAC name is (2S)-1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-(tetrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-(tetrazol-1-yl)propan-1-one
PubChem CID72928731
Molecular FormulaC17H24N8O2
Molecular Weight372.43 g/mol
Exact Mass372.20
IUPAC Name(2S)-1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-(tetrazol-1-yl)propan-1-one
SMILESCCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@H](C)n1cnnn1)CC2
InChIInChI=1S/C17H24N8O2/c1-3-14(26)24-7-4-13-15(19-10-18-13)17(24)5-8-23(9-6-17)16(27)12(2)25-11-20-21-22-25/h10-12H,3-9H2,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyYTKUFCVMDJPTBN-LBPRGKRZSA-N
XLogP0.27
TPSA112.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-(tetrazol-1-yl)propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-(tetrazol-1-yl)propan-1-one?
The IUPAC name of (2S)-1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-(tetrazol-1-yl)propan-1-one (CID 72928731) is (2S)-1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-(tetrazol-1-yl)propan-1-one.
What is the SMILES notation for (2S)-1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-(tetrazol-1-yl)propan-1-one?
The canonical SMILES for (2S)-1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-(tetrazol-1-yl)propan-1-one is CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)[C@H](C)n1cnnn1)CC2.
What is the InChIKey of (2S)-1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-(tetrazol-1-yl)propan-1-one?
The InChIKey is YTKUFCVMDJPTBN-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H24N8O2/c1-3-14(26)24-7-4-13-15(19-10-18-13)17(24)5-8-23(9-6-17)16(27)12(2)25-11-20-21-22-25/h10-12H,3-9H2,1-2H3,(H,18,19)/t12-/m0/s1.
What are the key properties of (2S)-1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-(tetrazol-1-yl)propan-1-one?
(2S)-1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-(tetrazol-1-yl)propan-1-one has a molecular weight of 372.43 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-propanoylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-(tetrazol-1-yl)propan-1-one is sourced from PubChem (CID 72928731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).