(3S)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]-3-methylpiperazine-1-carboxylic acid

C19H23N5O4 — CID 170321009

IUPAC(3S)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]-3-methylpiperazine-1-carboxylic acid
SMILESC[C@H]1CN(C(=O)O)CCN1c1cccc2c(C3CCC(=O)NC3=O)nn(C)c12
InChIInChI=1S/C19H23N5O4/c1-11-10-23(19(27)28)8-9-24(11)14-5-3-4-12-16(21-22(2)17(12)14)13-6-7-15(25)20-18(13)26/h3-5,11,13H,6-10H2,1-2H3,(H,27,28)(H,20,25,26)/t11-,13?/m0/s1
InChIKeyQNZRJKIWQJOFFX-AMGKYWFPSA-N
MW385.42 g/mol
LogP1.28
Rot. Bonds2

About (3S)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]-3-methylpiperazine-1-carboxylic acid

(3S)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]-3-methylpiperazine-1-carboxylic acid (PubChem CID 170321009) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is (3S)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]-3-methylpiperazine-1-carboxylic acid.

Molecular Properties

Compound Name(3S)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]-3-methylpiperazine-1-carboxylic acid
PubChem CID170321009
Molecular FormulaC19H23N5O4
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC Name(3S)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]-3-methylpiperazine-1-carboxylic acid
SMILESC[C@H]1CN(C(=O)O)CCN1c1cccc2c(C3CCC(=O)NC3=O)nn(C)c12
InChIInChI=1S/C19H23N5O4/c1-11-10-23(19(27)28)8-9-24(11)14-5-3-4-12-16(21-22(2)17(12)14)13-6-7-15(25)20-18(13)26/h3-5,11,13H,6-10H2,1-2H3,(H,27,28)(H,20,25,26)/t11-,13?/m0/s1
InChIKeyQNZRJKIWQJOFFX-AMGKYWFPSA-N
XLogP1.28
TPSA107.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]-3-methylpiperazine-1-carboxylic acid?
The IUPAC name of (3S)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]-3-methylpiperazine-1-carboxylic acid (CID 170321009) is (3S)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]-3-methylpiperazine-1-carboxylic acid.
What is the SMILES notation for (3S)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]-3-methylpiperazine-1-carboxylic acid?
The canonical SMILES for (3S)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]-3-methylpiperazine-1-carboxylic acid is C[C@H]1CN(C(=O)O)CCN1c1cccc2c(C3CCC(=O)NC3=O)nn(C)c12.
What is the InChIKey of (3S)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]-3-methylpiperazine-1-carboxylic acid?
The InChIKey is QNZRJKIWQJOFFX-AMGKYWFPSA-N. The full InChI is InChI=1S/C19H23N5O4/c1-11-10-23(19(27)28)8-9-24(11)14-5-3-4-12-16(21-22(2)17(12)14)13-6-7-15(25)20-18(13)26/h3-5,11,13H,6-10H2,1-2H3,(H,27,28)(H,20,25,26)/t11-,13?/m0/s1.
What are the key properties of (3S)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]-3-methylpiperazine-1-carboxylic acid?
(3S)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]-3-methylpiperazine-1-carboxylic acid has a molecular weight of 385.42 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]-3-methylpiperazine-1-carboxylic acid is sourced from PubChem (CID 170321009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).