[(5S)-5-(4-ethylpiperazin-1-yl)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone

C22H37N5O — CID 51633334

IUPAC[(5S)-5-(4-ethylpiperazin-1-yl)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
SMILESCCCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](N1CCN(CC)CC1)C2
InChIInChI=1S/C22H37N5O/c1-3-10-27-20-9-8-18(25-15-13-24(4-2)14-16-25)17-19(20)21(23-27)22(28)26-11-6-5-7-12-26/h18H,3-17H2,1-2H3/t18-/m0/s1
InChIKeyFTELTNTXQQKURH-SFHVURJKSA-N
MW387.57 g/mol
LogP2.41
Rot. Bonds5

About [(5S)-5-(4-ethylpiperazin-1-yl)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone

[(5S)-5-(4-ethylpiperazin-1-yl)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone (PubChem CID 51633334) has the molecular formula C22H37N5O and a molecular weight of 387.57 g/mol. Its IUPAC name is [(5S)-5-(4-ethylpiperazin-1-yl)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(5S)-5-(4-ethylpiperazin-1-yl)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
PubChem CID51633334
Molecular FormulaC22H37N5O
Molecular Weight387.57 g/mol
Exact Mass387.30
IUPAC Name[(5S)-5-(4-ethylpiperazin-1-yl)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
SMILESCCCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](N1CCN(CC)CC1)C2
InChIInChI=1S/C22H37N5O/c1-3-10-27-20-9-8-18(25-15-13-24(4-2)14-16-25)17-19(20)21(23-27)22(28)26-11-6-5-7-12-26/h18H,3-17H2,1-2H3/t18-/m0/s1
InChIKeyFTELTNTXQQKURH-SFHVURJKSA-N
XLogP2.41
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.57
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(5S)-5-(4-ethylpiperazin-1-yl)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(5S)-5-(4-ethylpiperazin-1-yl)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone (CID 51633334) is [(5S)-5-(4-ethylpiperazin-1-yl)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(5S)-5-(4-ethylpiperazin-1-yl)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(5S)-5-(4-ethylpiperazin-1-yl)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone is CCCn1nc(C(=O)N2CCCCC2)c2c1CC[C@H](N1CCN(CC)CC1)C2.
What is the InChIKey of [(5S)-5-(4-ethylpiperazin-1-yl)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone?
The InChIKey is FTELTNTXQQKURH-SFHVURJKSA-N. The full InChI is InChI=1S/C22H37N5O/c1-3-10-27-20-9-8-18(25-15-13-24(4-2)14-16-25)17-19(20)21(23-27)22(28)26-11-6-5-7-12-26/h18H,3-17H2,1-2H3/t18-/m0/s1.
What are the key properties of [(5S)-5-(4-ethylpiperazin-1-yl)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone?
[(5S)-5-(4-ethylpiperazin-1-yl)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone has a molecular weight of 387.57 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-5-(4-ethylpiperazin-1-yl)-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 51633334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).