N-[[3-[5-amino-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methyl-3-pyridinyl]phenyl]methyl]methanesulfonamide

C26H37N5O4S — CID 71137140

IUPACN-[[3-[5-amino-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methyl-3-pyridinyl]phenyl]methyl]methanesulfonamide
SMILESCOCCC(=O)N1CCN(c2nc(C3CC3)c(-c3cccc(CNS(C)(=O)=O)c3)c(C)c2N)C[C@H]1C
InChIInChI=1S/C26H37N5O4S/c1-17-16-30(11-12-31(17)22(32)10-13-35-3)26-24(27)18(2)23(25(29-26)20-8-9-20)21-7-5-6-19(14-21)15-28-36(4,33)34/h5-7,14,17,20,28H,8-13,15-16,27H2,1-4H3/t17-/m1/s1
InChIKeyJGQRPMMXTVBPPD-QGZVFWFLSA-N
MW515.68 g/mol
LogP2.64
Rot. Bonds9

About N-[[3-[5-amino-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methyl-3-pyridinyl]phenyl]methyl]methanesulfonamide

N-[[3-[5-amino-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methyl-3-pyridinyl]phenyl]methyl]methanesulfonamide (PubChem CID 71137140) has the molecular formula C26H37N5O4S and a molecular weight of 515.68 g/mol. Its IUPAC name is N-[[3-[5-amino-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methyl-3-pyridinyl]phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[3-[5-amino-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methyl-3-pyridinyl]phenyl]methyl]methanesulfonamide
PubChem CID71137140
Molecular FormulaC26H37N5O4S
Molecular Weight515.68 g/mol
Exact Mass515.26
IUPAC NameN-[[3-[5-amino-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methyl-3-pyridinyl]phenyl]methyl]methanesulfonamide
SMILESCOCCC(=O)N1CCN(c2nc(C3CC3)c(-c3cccc(CNS(C)(=O)=O)c3)c(C)c2N)C[C@H]1C
InChIInChI=1S/C26H37N5O4S/c1-17-16-30(11-12-31(17)22(32)10-13-35-3)26-24(27)18(2)23(25(29-26)20-8-9-20)21-7-5-6-19(14-21)15-28-36(4,33)34/h5-7,14,17,20,28H,8-13,15-16,27H2,1-4H3/t17-/m1/s1
InChIKeyJGQRPMMXTVBPPD-QGZVFWFLSA-N
XLogP2.64
TPSA117.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.68
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[3-[5-amino-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methyl-3-pyridinyl]phenyl]methyl]methanesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

1-[(2R)-4-[3-amino-5-(3-amino-4-fluorophenyl)-6-cyclopropyl-4-methyl-2-pyridinyl]-2-methylpiperazin-1-yl]-3-methoxypropan-1-one
CID 89300122
N-[[4-[5-cyano-2-cyclopropyl-6-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methyl-3-pyridinyl]phenyl]methyl]methanesulfonamide
CID 71119184
1-[(2R)-4-(3-amino-6-cyclopropyl-4-methyl-5-pyridin-4-yl-2-pyridinyl)-2-methylpiperazin-1-yl]-3-methoxypropan-1-one
CID 71136839
1-[(2R)-4-[3-amino-6-cyclopropyl-5-(3-fluoro-4-phenylphenyl)-4-methyl-2-pyridinyl]-2-methylpiperazin-1-yl]-3-methoxypropan-1-one
CID 71136826
N-[4-[5-amino-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methyl-3-pyridinyl]phenyl]acetamide
CID 71131460
6-cyclopropyl-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methyl-5-(3-methylsulfonylphenyl)pyridine-3-carbonitrile
CID 71119229
6-cyclopropyl-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methyl-5-(4-methylsulfonylphenyl)pyridine-3-carbonitrile
CID 90301761
6-cyclopropyl-5-(3-ethylphenyl)-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 135292165
6-cyclopropyl-5-[3-(2-hydroxyethyl)phenyl]-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 71119520
N-[4-[5-amino-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-3-pyridinyl]phenyl]acetamide
CID 71135450
6-cyclopropyl-5-(6-fluoro-3-pyridinyl)-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methylpyridine-3-carbonitrile
CID 90305570
1-[(2R)-4-[3-amino-6-cyclopropyl-5-(4-morpholin-4-ylphenyl)-2-pyridinyl]-2-methylpiperazin-1-yl]-3-methoxypropan-1-one
CID 71131463

Frequently Asked Questions

What is the IUPAC name of N-[[3-[5-amino-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methyl-3-pyridinyl]phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[3-[5-amino-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methyl-3-pyridinyl]phenyl]methyl]methanesulfonamide (CID 71137140) is N-[[3-[5-amino-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methyl-3-pyridinyl]phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[3-[5-amino-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methyl-3-pyridinyl]phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[3-[5-amino-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methyl-3-pyridinyl]phenyl]methyl]methanesulfonamide is COCCC(=O)N1CCN(c2nc(C3CC3)c(-c3cccc(CNS(C)(=O)=O)c3)c(C)c2N)C[C@H]1C.
What is the InChIKey of N-[[3-[5-amino-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methyl-3-pyridinyl]phenyl]methyl]methanesulfonamide?
The InChIKey is JGQRPMMXTVBPPD-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H37N5O4S/c1-17-16-30(11-12-31(17)22(32)10-13-35-3)26-24(27)18(2)23(25(29-26)20-8-9-20)21-7-5-6-19(14-21)15-28-36(4,33)34/h5-7,14,17,20,28H,8-13,15-16,27H2,1-4H3/t17-/m1/s1.
What are the key properties of N-[[3-[5-amino-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methyl-3-pyridinyl]phenyl]methyl]methanesulfonamide?
N-[[3-[5-amino-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methyl-3-pyridinyl]phenyl]methyl]methanesulfonamide has a molecular weight of 515.68 g/mol, XLogP of 2.64, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[5-amino-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methyl-3-pyridinyl]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 71137140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).