(2R)-1-(5-butylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-pyrazol-1-ylpropan-1-one

C20H30N6O — CID 97145593

IUPAC(2R)-1-(5-butylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-pyrazol-1-ylpropan-1-one
SMILESCCCCN1CCc2[nH]cnc2C12CCN(C(=O)[C@@H](C)n1cccn1)CC2
InChIInChI=1S/C20H30N6O/c1-3-4-10-25-12-6-17-18(22-15-21-17)20(25)7-13-24(14-8-20)19(27)16(2)26-11-5-9-23-26/h5,9,11,15-16H,3-4,6-8,10,12-14H2,1-2H3,(H,21,22)/t16-/m1/s1
InChIKeyWEKSFTUHHXVSJV-MRXNPFEDSA-N
MW370.50 g/mol
LogP2.34
Rot. Bonds5

About (2R)-1-(5-butylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-pyrazol-1-ylpropan-1-one

(2R)-1-(5-butylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-pyrazol-1-ylpropan-1-one (PubChem CID 97145593) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is (2R)-1-(5-butylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name(2R)-1-(5-butylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-pyrazol-1-ylpropan-1-one
PubChem CID97145593
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name(2R)-1-(5-butylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-pyrazol-1-ylpropan-1-one
SMILESCCCCN1CCc2[nH]cnc2C12CCN(C(=O)[C@@H](C)n1cccn1)CC2
InChIInChI=1S/C20H30N6O/c1-3-4-10-25-12-6-17-18(22-15-21-17)20(25)7-13-24(14-8-20)19(27)16(2)26-11-5-9-23-26/h5,9,11,15-16H,3-4,6-8,10,12-14H2,1-2H3,(H,21,22)/t16-/m1/s1
InChIKeyWEKSFTUHHXVSJV-MRXNPFEDSA-N
XLogP2.34
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-butylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-pyrazol-1-ylpropan-1-one?
The IUPAC name of (2R)-1-(5-butylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-pyrazol-1-ylpropan-1-one (CID 97145593) is (2R)-1-(5-butylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for (2R)-1-(5-butylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-pyrazol-1-ylpropan-1-one?
The canonical SMILES for (2R)-1-(5-butylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-pyrazol-1-ylpropan-1-one is CCCCN1CCc2[nH]cnc2C12CCN(C(=O)[C@@H](C)n1cccn1)CC2.
What is the InChIKey of (2R)-1-(5-butylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-pyrazol-1-ylpropan-1-one?
The InChIKey is WEKSFTUHHXVSJV-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H30N6O/c1-3-4-10-25-12-6-17-18(22-15-21-17)20(25)7-13-24(14-8-20)19(27)16(2)26-11-5-9-23-26/h5,9,11,15-16H,3-4,6-8,10,12-14H2,1-2H3,(H,21,22)/t16-/m1/s1.
What are the key properties of (2R)-1-(5-butylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-pyrazol-1-ylpropan-1-one?
(2R)-1-(5-butylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-pyrazol-1-ylpropan-1-one has a molecular weight of 370.50 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5-butylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)-2-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 97145593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).