1-[1'-(5-cyclopropyl-1H-pyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one

C20H26N6O2 — CID 72897705

IUPAC1-[1'-(5-cyclopropyl-1H-pyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one
SMILESCCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cc(C3CC3)[nH]n1)CC2
InChIInChI=1S/C20H26N6O2/c1-2-17(27)26-8-5-14-18(22-12-21-14)20(26)6-9-25(10-7-20)19(28)16-11-15(23-24-16)13-3-4-13/h11-13H,2-10H2,1H3,(H,21,22)(H,23,24)
InChIKeyXEKRJYMSPBBBBW-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.94
Rot. Bonds3

About 1-[1'-(5-cyclopropyl-1H-pyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one

1-[1'-(5-cyclopropyl-1H-pyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one (PubChem CID 72897705) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is 1-[1'-(5-cyclopropyl-1H-pyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one.

Molecular Properties

Compound Name1-[1'-(5-cyclopropyl-1H-pyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one
PubChem CID72897705
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name1-[1'-(5-cyclopropyl-1H-pyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one
SMILESCCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cc(C3CC3)[nH]n1)CC2
InChIInChI=1S/C20H26N6O2/c1-2-17(27)26-8-5-14-18(22-12-21-14)20(26)6-9-25(10-7-20)19(28)16-11-15(23-24-16)13-3-4-13/h11-13H,2-10H2,1H3,(H,21,22)(H,23,24)
InChIKeyXEKRJYMSPBBBBW-UHFFFAOYSA-N
XLogP1.94
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1'-(5-cyclopropyl-1H-pyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one?
The IUPAC name of 1-[1'-(5-cyclopropyl-1H-pyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one (CID 72897705) is 1-[1'-(5-cyclopropyl-1H-pyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one.
What is the SMILES notation for 1-[1'-(5-cyclopropyl-1H-pyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one?
The canonical SMILES for 1-[1'-(5-cyclopropyl-1H-pyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one is CCC(=O)N1CCc2[nH]cnc2C12CCN(C(=O)c1cc(C3CC3)[nH]n1)CC2.
What is the InChIKey of 1-[1'-(5-cyclopropyl-1H-pyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one?
The InChIKey is XEKRJYMSPBBBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-2-17(27)26-8-5-14-18(22-12-21-14)20(26)6-9-25(10-7-20)19(28)16-11-15(23-24-16)13-3-4-13/h11-13H,2-10H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 1-[1'-(5-cyclopropyl-1H-pyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one?
1-[1'-(5-cyclopropyl-1H-pyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one has a molecular weight of 382.47 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1'-(5-cyclopropyl-1H-pyrazole-3-carbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-5-yl]propan-1-one is sourced from PubChem (CID 72897705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).