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

C21H28N6O2 — CID 72905014

IUPAC1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
SMILESCc1ccn(CCC(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)n1
InChIInChI=1S/C21H28N6O2/c1-15-4-9-26(24-15)10-6-18(28)25-12-7-21(8-13-25)19-17(22-14-23-19)5-11-27(21)20(29)16-2-3-16/h4,9,14,16H,2-3,5-8,10-13H2,1H3,(H,22,23)
InChIKeyWEYMPRLNVIRPRC-UHFFFAOYSA-N
MW396.50 g/mol
LogP1.62
Rot. Bonds4

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

1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-3-(3-methylpyrazol-1-yl)propan-1-one (PubChem CID 72905014) has the molecular formula C21H28N6O2 and a molecular weight of 396.50 g/mol. Its IUPAC name is 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-3-(3-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
PubChem CID72905014
Molecular FormulaC21H28N6O2
Molecular Weight396.50 g/mol
Exact Mass396.23
IUPAC Name1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
SMILESCc1ccn(CCC(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)n1
InChIInChI=1S/C21H28N6O2/c1-15-4-9-26(24-15)10-6-18(28)25-12-7-21(8-13-25)19-17(22-14-23-19)5-11-27(21)20(29)16-2-3-16/h4,9,14,16H,2-3,5-8,10-13H2,1H3,(H,22,23)
InChIKeyWEYMPRLNVIRPRC-UHFFFAOYSA-N
XLogP1.62
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-3-(3-methylpyrazol-1-yl)propan-1-one with MolForge

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Related Compounds

cyclopropyl-[(3S)-3-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 162648308
3-(Pyrimidin-2-ylamino)-1-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-1-one
CID 72143548
5-isobutyl-1'-[(1-methyl-1H-pyrazol-5-yl)carbonyl]-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72880135
5-isobutyl-1'-(1H-pyrazol-3-ylcarbonyl)-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72912504
5-(1H-imidazol-2-ylmethyl)-2-[3-oxo-3-(1-pyrrolidinyl)propyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 72915852
5-propyl-1'-[3-(1H-pyrazol-1-yl)propanoyl]-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72927574
5-acetyl-1'-[3-(1H-pyrazol-1-yl)propanoyl]-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72928513
5-isobutyl-1'-[(1-methyl-1H-pyrazol-4-yl)carbonyl]-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72931477
(1-methylcyclopropyl)-[3-(2-methylpyrazol-3-yl)spiro[6,7-dihydro-5H-imidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]methanone
CID 97440571
N-[[4-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]cyclopropanecarboxamide
CID 98079087
N-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide dihydrochloride
CID 70762533
5-acetyl-1'-[(5-methyl-1H-pyrazol-1-yl)acetyl]-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
CID 72849728

Frequently Asked Questions

What is the IUPAC name of 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-3-(3-methylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-3-(3-methylpyrazol-1-yl)propan-1-one (CID 72905014) is 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-3-(3-methylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-3-(3-methylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-3-(3-methylpyrazol-1-yl)propan-1-one is Cc1ccn(CCC(=O)N2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)n1.
What is the InChIKey of 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-3-(3-methylpyrazol-1-yl)propan-1-one?
The InChIKey is WEYMPRLNVIRPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O2/c1-15-4-9-26(24-15)10-6-18(28)25-12-7-21(8-13-25)19-17(22-14-23-19)5-11-27(21)20(29)16-2-3-16/h4,9,14,16H,2-3,5-8,10-13H2,1H3,(H,22,23).
What are the key properties of 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-3-(3-methylpyrazol-1-yl)propan-1-one?
1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-3-(3-methylpyrazol-1-yl)propan-1-one has a molecular weight of 396.50 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(cyclopropanecarbonyl)spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl]-3-(3-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 72905014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).