[5-(1H-imidazol-2-ylmethylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone

C20H30N6O — CID 146641229

IUPAC[5-(1H-imidazol-2-ylmethylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
SMILESCCCn1nc(C(=O)N2CCCCC2)c2c1CCC(NCc1ncc[nH]1)C2
InChIInChI=1S/C20H30N6O/c1-2-10-26-17-7-6-15(23-14-18-21-8-9-22-18)13-16(17)19(24-26)20(27)25-11-4-3-5-12-25/h8-9,15,23H,2-7,10-14H2,1H3,(H,21,22)
InChIKeyCHAJPEKGWMXYEU-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.29
Rot. Bonds6

About [5-(1H-imidazol-2-ylmethylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone

[5-(1H-imidazol-2-ylmethylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone (PubChem CID 146641229) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is [5-(1H-imidazol-2-ylmethylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(1H-imidazol-2-ylmethylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
PubChem CID146641229
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name[5-(1H-imidazol-2-ylmethylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
SMILESCCCn1nc(C(=O)N2CCCCC2)c2c1CCC(NCc1ncc[nH]1)C2
InChIInChI=1S/C20H30N6O/c1-2-10-26-17-7-6-15(23-14-18-21-8-9-22-18)13-16(17)19(24-26)20(27)25-11-4-3-5-12-25/h8-9,15,23H,2-7,10-14H2,1H3,(H,21,22)
InChIKeyCHAJPEKGWMXYEU-UHFFFAOYSA-N
XLogP2.29
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(1H-imidazol-2-ylmethylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(1H-imidazol-2-ylmethylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone (CID 146641229) is [5-(1H-imidazol-2-ylmethylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(1H-imidazol-2-ylmethylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(1H-imidazol-2-ylmethylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone is CCCn1nc(C(=O)N2CCCCC2)c2c1CCC(NCc1ncc[nH]1)C2.
What is the InChIKey of [5-(1H-imidazol-2-ylmethylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone?
The InChIKey is CHAJPEKGWMXYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-2-10-26-17-7-6-15(23-14-18-21-8-9-22-18)13-16(17)19(24-26)20(27)25-11-4-3-5-12-25/h8-9,15,23H,2-7,10-14H2,1H3,(H,21,22).
What are the key properties of [5-(1H-imidazol-2-ylmethylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone?
[5-(1H-imidazol-2-ylmethylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone has a molecular weight of 370.50 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1H-imidazol-2-ylmethylamino)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 146641229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).