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

C26H30N6O2 — CID 89304698

IUPAC1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenyl-1,8-naphthyridin-4-yl)-2-pyridinyl]-2-methylpiperazin-1-yl]-3-hydroxypropan-1-one
SMILESC=Cc1cc(-c2cc(N)c(N3CCN(C(=O)CCO)[C@H](C)C3)nc2C2CC2)c2cccnc2n1
InChIInChI=1S/C26H30N6O2/c1-3-18-13-20(19-5-4-9-28-25(19)29-18)21-14-22(27)26(30-24(21)17-6-7-17)31-10-11-32(16(2)15-31)23(34)8-12-33/h3-5,9,13-14,16-17,33H,1,6-8,10-12,15,27H2,2H3/t16-/m1/s1
InChIKeyXLJBXLUULHSAMS-MRXNPFEDSA-N
MW458.57 g/mol
LogP3.21
Rot. Bonds6

About 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

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 (PubChem CID 89304698) has the molecular formula C26H30N6O2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenyl-1,8-naphthyridin-4-yl)-2-pyridinyl]-2-methylpiperazin-1-yl]-3-hydroxypropan-1-one
PubChem CID89304698
Molecular FormulaC26H30N6O2
Molecular Weight458.57 g/mol
Exact Mass458.24
IUPAC Name1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenyl-1,8-naphthyridin-4-yl)-2-pyridinyl]-2-methylpiperazin-1-yl]-3-hydroxypropan-1-one
SMILESC=Cc1cc(-c2cc(N)c(N3CCN(C(=O)CCO)[C@H](C)C3)nc2C2CC2)c2cccnc2n1
InChIInChI=1S/C26H30N6O2/c1-3-18-13-20(19-5-4-9-28-25(19)29-18)21-14-22(27)26(30-24(21)17-6-7-17)31-10-11-32(16(2)15-31)23(34)8-12-33/h3-5,9,13-14,16-17,33H,1,6-8,10-12,15,27H2,2H3/t16-/m1/s1
InChIKeyXLJBXLUULHSAMS-MRXNPFEDSA-N
XLogP3.21
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
6-cyclopropyl-5-(2-ethenyl-1,8-naphthyridin-4-yl)-2-[(3R)-4-(3-hydroxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 89288217
1-[(2R)-4-(3-amino-6-cyclopropyl-5-quinolin-5-yl-2-pyridinyl)-2-methylpiperazin-1-yl]-3-methoxypropan-1-one
CID 71136820
1-[(2R)-4-[3-amino-6-cyclopropyl-5-(2-ethenyl-1,7-naphthyridin-4-yl)-2-pyridinyl]-2-propan-2-ylpiperazin-1-yl]-3-hydroxypropan-1-one
CID 89307459
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-[(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-[(4-ethenylpyrimidin-2-yl)amino]-2-pyridinyl]-2-methylpiperazin-1-yl]-3-methoxypropan-1-one
CID 89304086
6-cyclopropyl-5-(2-ethenylquinolin-4-yl)-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 90301464
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-(2-ethenylquinazolin-5-yl)-2-pyridinyl]-2-cyclopropylpiperazin-1-yl]-3-hydroxypropan-1-one
CID 89304690
6-cyclopropyl-5-(2-ethenyl-1,7-naphthyridin-4-yl)-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 89288182
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=Cc1cc(-c2cc(N)c(N3CCN(C(=O)CCO)[C@H](C)C3)nc2C2CC2)c2cccnc2n1.
What is the InChIKey of 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?
The InChIKey is XLJBXLUULHSAMS-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H30N6O2/c1-3-18-13-20(19-5-4-9-28-25(19)29-18)21-14-22(27)26(30-24(21)17-6-7-17)31-10-11-32(16(2)15-31)23(34)8-12-33/h3-5,9,13-14,16-17,33H,1,6-8,10-12,15,27H2,2H3/t16-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 458.57 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 89304698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).