1-[(2R)-4-(3-amino-6-cyclopropyl-5-quinolin-5-yl-2-pyridinyl)-2-methylpiperazin-1-yl]-3-methoxypropan-1-one

C26H31N5O2 — CID 71136820

IUPAC1-[(2R)-4-(3-amino-6-cyclopropyl-5-quinolin-5-yl-2-pyridinyl)-2-methylpiperazin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCN(c2nc(C3CC3)c(-c3cccc4ncccc34)cc2N)C[C@H]1C
InChIInChI=1S/C26H31N5O2/c1-17-16-30(12-13-31(17)24(32)10-14-33-2)26-22(27)15-21(25(29-26)18-8-9-18)19-5-3-7-23-20(19)6-4-11-28-23/h3-7,11,15,17-18H,8-10,12-14,16,27H2,1-2H3/t17-/m1/s1
InChIKeyLIJIUVCEQWPCFI-QGZVFWFLSA-N
MW445.57 g/mol
LogP3.83
Rot. Bonds6

About 1-[(2R)-4-(3-amino-6-cyclopropyl-5-quinolin-5-yl-2-pyridinyl)-2-methylpiperazin-1-yl]-3-methoxypropan-1-one

1-[(2R)-4-(3-amino-6-cyclopropyl-5-quinolin-5-yl-2-pyridinyl)-2-methylpiperazin-1-yl]-3-methoxypropan-1-one (PubChem CID 71136820) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is 1-[(2R)-4-(3-amino-6-cyclopropyl-5-quinolin-5-yl-2-pyridinyl)-2-methylpiperazin-1-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[(2R)-4-(3-amino-6-cyclopropyl-5-quinolin-5-yl-2-pyridinyl)-2-methylpiperazin-1-yl]-3-methoxypropan-1-one
PubChem CID71136820
Molecular FormulaC26H31N5O2
Molecular Weight445.57 g/mol
Exact Mass445.25
IUPAC Name1-[(2R)-4-(3-amino-6-cyclopropyl-5-quinolin-5-yl-2-pyridinyl)-2-methylpiperazin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCN(c2nc(C3CC3)c(-c3cccc4ncccc34)cc2N)C[C@H]1C
InChIInChI=1S/C26H31N5O2/c1-17-16-30(12-13-31(17)24(32)10-14-33-2)26-22(27)15-21(25(29-26)18-8-9-18)19-5-3-7-23-20(19)6-4-11-28-23/h3-7,11,15,17-18H,8-10,12-14,16,27H2,1-2H3/t17-/m1/s1
InChIKeyLIJIUVCEQWPCFI-QGZVFWFLSA-N
XLogP3.83
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.57
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(2R)-4-(3-amino-6-cyclopropyl-5-quinolin-5-yl-2-pyridinyl)-2-methylpiperazin-1-yl]-3-methoxypropan-1-one with MolForge

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Launch Full Analysis

Related Compounds

6-cyclopropyl-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-5-quinolin-5-ylpyridine-3-carbonitrile
CID 90301665
1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenylquinazolin-5-yl)-2-pyridinyl]-2-methylpiperazin-1-yl]-3-methoxypropan-1-one
CID 89300134
1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenyl-1,8-naphthyridin-4-yl)-2-pyridinyl]-2-methylpiperazin-1-yl]-3-methoxypropan-1-one
CID 89300101
1-[(2R)-4-[3-amino-6-cyclopropyl-5-[2-[(E)-2-(2-ethenylquinoxalin-5-yl)ethenyl]quinoxalin-5-yl]-2-pyridinyl]-2-methylpiperazin-1-yl]-3-methoxypropan-1-one
CID 89300123
1-[(2R)-4-[3-amino-6-cyclopropyl-5-(4-morpholin-4-ylphenyl)-2-pyridinyl]-2-methylpiperazin-1-yl]-3-methoxypropan-1-one
CID 71131463
N-[4-[5-amino-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-3-pyridinyl]phenyl]acetamide
CID 71135450
6-cyclopropyl-5-(1-methoxyisoquinolin-5-yl)-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 71119399
1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenyl-1,8-naphthyridin-4-yl)-2-pyridinyl]-2-methylpiperazin-1-yl]-3-hydroxypropan-1-one
CID 89304698
1-[(2R)-4-[3-amino-6-cyclopropyl-5-(6-ethenyl-3-pyridinyl)-2-pyridinyl]-2-methylpiperazin-1-yl]-3-methoxypropan-1-one
CID 89300162
1-[4-(3-amino-6-cyclopropyl-5-isoquinolin-5-yl-2-pyridinyl)-2-(trifluoromethyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 71137159
6-cyclopropyl-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-5-(3-methylisoquinolin-5-yl)pyridine-3-carbonitrile
CID 71119175
6-cyclopropyl-5-(2-ethenylquinolin-4-yl)-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 90301464

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-(3-amino-6-cyclopropyl-5-quinolin-5-yl-2-pyridinyl)-2-methylpiperazin-1-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[(2R)-4-(3-amino-6-cyclopropyl-5-quinolin-5-yl-2-pyridinyl)-2-methylpiperazin-1-yl]-3-methoxypropan-1-one (CID 71136820) is 1-[(2R)-4-(3-amino-6-cyclopropyl-5-quinolin-5-yl-2-pyridinyl)-2-methylpiperazin-1-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[(2R)-4-(3-amino-6-cyclopropyl-5-quinolin-5-yl-2-pyridinyl)-2-methylpiperazin-1-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[(2R)-4-(3-amino-6-cyclopropyl-5-quinolin-5-yl-2-pyridinyl)-2-methylpiperazin-1-yl]-3-methoxypropan-1-one is COCCC(=O)N1CCN(c2nc(C3CC3)c(-c3cccc4ncccc34)cc2N)C[C@H]1C.
What is the InChIKey of 1-[(2R)-4-(3-amino-6-cyclopropyl-5-quinolin-5-yl-2-pyridinyl)-2-methylpiperazin-1-yl]-3-methoxypropan-1-one?
The InChIKey is LIJIUVCEQWPCFI-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H31N5O2/c1-17-16-30(12-13-31(17)24(32)10-14-33-2)26-22(27)15-21(25(29-26)18-8-9-18)19-5-3-7-23-20(19)6-4-11-28-23/h3-7,11,15,17-18H,8-10,12-14,16,27H2,1-2H3/t17-/m1/s1.
What are the key properties of 1-[(2R)-4-(3-amino-6-cyclopropyl-5-quinolin-5-yl-2-pyridinyl)-2-methylpiperazin-1-yl]-3-methoxypropan-1-one?
1-[(2R)-4-(3-amino-6-cyclopropyl-5-quinolin-5-yl-2-pyridinyl)-2-methylpiperazin-1-yl]-3-methoxypropan-1-one has a molecular weight of 445.57 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-4-(3-amino-6-cyclopropyl-5-quinolin-5-yl-2-pyridinyl)-2-methylpiperazin-1-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 71136820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).