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

C23H31N5O2 — CID 71136839

IUPAC1-[(2R)-4-(3-amino-6-cyclopropyl-4-methyl-5-pyridin-4-yl-2-pyridinyl)-2-methylpiperazin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCN(c2nc(C3CC3)c(-c3ccncc3)c(C)c2N)C[C@H]1C
InChIInChI=1S/C23H31N5O2/c1-15-14-27(11-12-28(15)19(29)8-13-30-3)23-21(24)16(2)20(17-6-9-25-10-7-17)22(26-23)18-4-5-18/h6-7,9-10,15,18H,4-5,8,11-14,24H2,1-3H3/t15-/m1/s1
InChIKeyQCECLQHUULECAU-OAHLLOKOSA-N
MW409.53 g/mol
LogP2.99
Rot. Bonds6

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

1-[(2R)-4-(3-amino-6-cyclopropyl-4-methyl-5-pyridin-4-yl-2-pyridinyl)-2-methylpiperazin-1-yl]-3-methoxypropan-1-one (PubChem CID 71136839) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 1-[(2R)-4-(3-amino-6-cyclopropyl-4-methyl-5-pyridin-4-yl-2-pyridinyl)-2-methylpiperazin-1-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[(2R)-4-(3-amino-6-cyclopropyl-4-methyl-5-pyridin-4-yl-2-pyridinyl)-2-methylpiperazin-1-yl]-3-methoxypropan-1-one
PubChem CID71136839
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC Name1-[(2R)-4-(3-amino-6-cyclopropyl-4-methyl-5-pyridin-4-yl-2-pyridinyl)-2-methylpiperazin-1-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCN(c2nc(C3CC3)c(-c3ccncc3)c(C)c2N)C[C@H]1C
InChIInChI=1S/C23H31N5O2/c1-15-14-27(11-12-28(15)19(29)8-13-30-3)23-21(24)16(2)20(17-6-9-25-10-7-17)22(26-23)18-4-5-18/h6-7,9-10,15,18H,4-5,8,11-14,24H2,1-3H3/t15-/m1/s1
InChIKeyQCECLQHUULECAU-OAHLLOKOSA-N
XLogP2.99
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

N-[4-[5-amino-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methyl-3-pyridinyl]phenyl]acetamide
CID 71131460
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
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-[[3-[5-amino-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methyl-3-pyridinyl]phenyl]methyl]methanesulfonamide
CID 71137140
6-cyclopropyl-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methyl-5-(4-methylsulfonylphenyl)pyridine-3-carbonitrile
CID 90301761
6-cyclopropyl-5-(6-fluoro-3-pyridinyl)-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methylpyridine-3-carbonitrile
CID 90305570
6-cyclopropyl-5-isoquinolin-5-yl-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methylpyridine-3-carbonitrile
CID 90301779
N-[[4-[5-cyano-2-cyclopropyl-6-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methyl-3-pyridinyl]phenyl]methyl]methanesulfonamide
CID 71119184
6-cyclopropyl-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-4-methyl-5-(3-methylsulfonylphenyl)pyridine-3-carbonitrile
CID 71119229
6-cyclopropyl-5-(4-fluorophenyl)-4-(methoxymethyl)-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 71118923
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

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-4-(3-amino-6-cyclopropyl-4-methyl-5-pyridin-4-yl-2-pyridinyl)-2-methylpiperazin-1-yl]-3-methoxypropan-1-one?
The IUPAC name of 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) is 1-[(2R)-4-(3-amino-6-cyclopropyl-4-methyl-5-pyridin-4-yl-2-pyridinyl)-2-methylpiperazin-1-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[(2R)-4-(3-amino-6-cyclopropyl-4-methyl-5-pyridin-4-yl-2-pyridinyl)-2-methylpiperazin-1-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[(2R)-4-(3-amino-6-cyclopropyl-4-methyl-5-pyridin-4-yl-2-pyridinyl)-2-methylpiperazin-1-yl]-3-methoxypropan-1-one is COCCC(=O)N1CCN(c2nc(C3CC3)c(-c3ccncc3)c(C)c2N)C[C@H]1C.
What is the InChIKey of 1-[(2R)-4-(3-amino-6-cyclopropyl-4-methyl-5-pyridin-4-yl-2-pyridinyl)-2-methylpiperazin-1-yl]-3-methoxypropan-1-one?
The InChIKey is QCECLQHUULECAU-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-15-14-27(11-12-28(15)19(29)8-13-30-3)23-21(24)16(2)20(17-6-9-25-10-7-17)22(26-23)18-4-5-18/h6-7,9-10,15,18H,4-5,8,11-14,24H2,1-3H3/t15-/m1/s1.
What are the key properties of 1-[(2R)-4-(3-amino-6-cyclopropyl-4-methyl-5-pyridin-4-yl-2-pyridinyl)-2-methylpiperazin-1-yl]-3-methoxypropan-1-one?
1-[(2R)-4-(3-amino-6-cyclopropyl-4-methyl-5-pyridin-4-yl-2-pyridinyl)-2-methylpiperazin-1-yl]-3-methoxypropan-1-one has a molecular weight of 409.53 g/mol, XLogP of 2.99, 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-4-methyl-5-pyridin-4-yl-2-pyridinyl)-2-methylpiperazin-1-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 71136839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).