2-[[(1S,2R)-2-[4-(6-methoxy-3-pyridinyl)phenyl]cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)ethanone

C22H28N4O2 — CID 90654162

IUPAC2-[[(1S,2R)-2-[4-(6-methoxy-3-pyridinyl)phenyl]cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1ccc(-c2ccc([C@H]3C[C@@H]3NCC(=O)N3CCN(C)CC3)cc2)cn1
InChIInChI=1S/C22H28N4O2/c1-25-9-11-26(12-10-25)22(27)15-23-20-13-19(20)17-5-3-16(4-6-17)18-7-8-21(28-2)24-14-18/h3-8,14,19-20,23H,9-13,15H2,1-2H3/t19-,20+/m1/s1
InChIKeyMQPOJGXKAOQWIT-UXHICEINSA-N
MW380.49 g/mol
LogP1.98
Rot. Bonds6

About 2-[[(1S,2R)-2-[4-(6-methoxy-3-pyridinyl)phenyl]cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)ethanone

2-[[(1S,2R)-2-[4-(6-methoxy-3-pyridinyl)phenyl]cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 90654162) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-[[(1S,2R)-2-[4-(6-methoxy-3-pyridinyl)phenyl]cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[[(1S,2R)-2-[4-(6-methoxy-3-pyridinyl)phenyl]cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID90654162
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name2-[[(1S,2R)-2-[4-(6-methoxy-3-pyridinyl)phenyl]cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1ccc(-c2ccc([C@H]3C[C@@H]3NCC(=O)N3CCN(C)CC3)cc2)cn1
InChIInChI=1S/C22H28N4O2/c1-25-9-11-26(12-10-25)22(27)15-23-20-13-19(20)17-5-3-16(4-6-17)18-7-8-21(28-2)24-14-18/h3-8,14,19-20,23H,9-13,15H2,1-2H3/t19-,20+/m1/s1
InChIKeyMQPOJGXKAOQWIT-UXHICEINSA-N
XLogP1.98
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[(1S,2R)-2-[4-(6-methoxy-3-pyridinyl)phenyl]cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S,2R)-2-[4-(6-methoxy-3-pyridinyl)phenyl]cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[[(1S,2R)-2-[4-(6-methoxy-3-pyridinyl)phenyl]cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)ethanone (CID 90654162) is 2-[[(1S,2R)-2-[4-(6-methoxy-3-pyridinyl)phenyl]cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[[(1S,2R)-2-[4-(6-methoxy-3-pyridinyl)phenyl]cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[[(1S,2R)-2-[4-(6-methoxy-3-pyridinyl)phenyl]cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)ethanone is COc1ccc(-c2ccc([C@H]3C[C@@H]3NCC(=O)N3CCN(C)CC3)cc2)cn1.
What is the InChIKey of 2-[[(1S,2R)-2-[4-(6-methoxy-3-pyridinyl)phenyl]cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is MQPOJGXKAOQWIT-UXHICEINSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-25-9-11-26(12-10-25)22(27)15-23-20-13-19(20)17-5-3-16(4-6-17)18-7-8-21(28-2)24-14-18/h3-8,14,19-20,23H,9-13,15H2,1-2H3/t19-,20+/m1/s1.
What are the key properties of 2-[[(1S,2R)-2-[4-(6-methoxy-3-pyridinyl)phenyl]cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)ethanone?
2-[[(1S,2R)-2-[4-(6-methoxy-3-pyridinyl)phenyl]cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 380.49 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S,2R)-2-[4-(6-methoxy-3-pyridinyl)phenyl]cyclopropyl]amino]-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 90654162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).