5-amino-3-cyclopropyl-1-[[5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl]methyl]-3-phenylpyrrol-2-one

C26H30N4O3 — CID 90707235

IUPAC5-amino-3-cyclopropyl-1-[[5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl]methyl]-3-phenylpyrrol-2-one
SMILESCOC[C@H]1CCCN1C(=O)c1cncc(CN2C(=O)C(c3ccccc3)(C3CC3)C=C2N)c1
InChIInChI=1S/C26H30N4O3/c1-33-17-22-8-5-11-29(22)24(31)19-12-18(14-28-15-19)16-30-23(27)13-26(25(30)32,21-9-10-21)20-6-3-2-4-7-20/h2-4,6-7,12-15,21-22H,5,8-11,16-17,27H2,1H3/t22-,26?/m1/s1
InChIKeyQDBWFTDJEZNNJJ-FPSALIRRSA-N
MW446.55 g/mol
LogP2.82
Rot. Bonds7

About 5-amino-3-cyclopropyl-1-[[5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl]methyl]-3-phenylpyrrol-2-one

5-amino-3-cyclopropyl-1-[[5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl]methyl]-3-phenylpyrrol-2-one (PubChem CID 90707235) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 5-amino-3-cyclopropyl-1-[[5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl]methyl]-3-phenylpyrrol-2-one.

Molecular Properties

Compound Name5-amino-3-cyclopropyl-1-[[5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl]methyl]-3-phenylpyrrol-2-one
PubChem CID90707235
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name5-amino-3-cyclopropyl-1-[[5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl]methyl]-3-phenylpyrrol-2-one
SMILESCOC[C@H]1CCCN1C(=O)c1cncc(CN2C(=O)C(c3ccccc3)(C3CC3)C=C2N)c1
InChIInChI=1S/C26H30N4O3/c1-33-17-22-8-5-11-29(22)24(31)19-12-18(14-28-15-19)16-30-23(27)13-26(25(30)32,21-9-10-21)20-6-3-2-4-7-20/h2-4,6-7,12-15,21-22H,5,8-11,16-17,27H2,1H3/t22-,26?/m1/s1
InChIKeyQDBWFTDJEZNNJJ-FPSALIRRSA-N
XLogP2.82
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-cyclopropyl-1-[[5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl]methyl]-3-phenylpyrrol-2-one?
The IUPAC name of 5-amino-3-cyclopropyl-1-[[5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl]methyl]-3-phenylpyrrol-2-one (CID 90707235) is 5-amino-3-cyclopropyl-1-[[5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl]methyl]-3-phenylpyrrol-2-one.
What is the SMILES notation for 5-amino-3-cyclopropyl-1-[[5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl]methyl]-3-phenylpyrrol-2-one?
The canonical SMILES for 5-amino-3-cyclopropyl-1-[[5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl]methyl]-3-phenylpyrrol-2-one is COC[C@H]1CCCN1C(=O)c1cncc(CN2C(=O)C(c3ccccc3)(C3CC3)C=C2N)c1.
What is the InChIKey of 5-amino-3-cyclopropyl-1-[[5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl]methyl]-3-phenylpyrrol-2-one?
The InChIKey is QDBWFTDJEZNNJJ-FPSALIRRSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-33-17-22-8-5-11-29(22)24(31)19-12-18(14-28-15-19)16-30-23(27)13-26(25(30)32,21-9-10-21)20-6-3-2-4-7-20/h2-4,6-7,12-15,21-22H,5,8-11,16-17,27H2,1H3/t22-,26?/m1/s1.
What are the key properties of 5-amino-3-cyclopropyl-1-[[5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl]methyl]-3-phenylpyrrol-2-one?
5-amino-3-cyclopropyl-1-[[5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl]methyl]-3-phenylpyrrol-2-one has a molecular weight of 446.55 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-cyclopropyl-1-[[5-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]-3-pyridinyl]methyl]-3-phenylpyrrol-2-one is sourced from PubChem (CID 90707235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).